A0A096NEM8_PAPAN Loading...

Carboxypeptidase M

Specifically removes C-terminal basic residues (Arg or Lys) from peptides and proteins. It is believed to play important roles in the control of peptide hormone and growth factor activity at the cell surface, and in the membrane-localized degradation of extracellular proteins.

AlphaFold DB (A0A2K5Z039), UniProt , Accession A0A096NEM8, Species PAPAN (Papio anubis, Olive baboon), Gene CPM, Length 443 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	40.4	Very low	233 Å²	233	173.5 Å²	173.5	100%	1.148	84%	0.837	S	S	*	*				0	95.3	0	-79.1	169.3	168	0	0	107.2
2	N	33.4	Very low	40.8	Very low	166 Å²	166	170.8 Å²	170.8	89%	0.888	83%	0.829	S	S	*	*			trans	-100.5	114	177.2	-85	-8.8	0	0	0	108
3	F	35.4	Very low	41.1	Very low	188 Å²	188	165.4 Å²	165.4	83%	0.825	82%	0.816	S	S	*	*			trans	-81.7	122.8	167.4	-87.6	-90.4	0	0	0	108.6
4	P	47	Very low	41.6	Very low	111 Å²	111	165.6 Å²	165.6	72%	0.721	82%	0.821	S	S	*	*			trans	-81.4	126.9	168.4	31.8	-27.6	0	0	0	108.8	L6	P4-L6 PolarHBondContact O-N 3.18Å
5	Y	43.1	Very low	42.5	Very low	217 Å²	217	157.8 Å²	157.8	85%	0.851	79%	0.785	S	S	*	*			trans	-67.1	111.2	167.5	-78.4	-93.3	0	0	0	108.7	W7	Y5-W7 PolarHBondContact O-N 3.18Å
6	L	40.5	Very low	43.7	Very low	151 Å²	151	153.2 Å²	153.2	79%	0.791	78%	0.78	S	S	*	*			trans	-73.9	108.3	168.7	-132.7	90.2	0	0	0	107.7	P4 L8	P4-L6 PolarHBondContact O-N 3.18Å; L6-L8 PolarHBondContact O-N 2.85Å; L6-L8 VanDerWaalsContact O-N 3.16Å
7	W	44.3	Very low	45.8	Very low	227 Å²	227	148.8 Å²	148.8	86%	0.86	77%	0.772	S	S	*	*			trans	-72.3	102.5	165.7	-76.1	66.8	0	0	0	107.4	Y5 E9	Y5-W7 PolarHBondContact O-N 3.18Å; W7-E9 PolarHBondContact O-N 2.97Å
8	L	38.5	Very low	48.5	Very low	144 Å²	144	141.5 Å²	141.5	75%	0.754	73%	0.734	S	S	*	*			trans	-75.7	85.4	167.4	-149.9	86.7	0	0	0	106.5	L6 L10	L6-L8 PolarHBondContact O-N 2.85Å; L6-L8 VanDerWaalsContact O-N 3.16Å; L8-L10 PolarHBondContact O-N 3.03Å
9	E	38.5	Very low	51	Low	164 Å²	164	138.4 Å²	138.4	77%	0.766	72%	0.719	S	S	*	*			trans	-61.7	107.9	164.8	-74.1	-163.2	167.4	0	0	107.3	W7 L11	W7-E9 PolarHBondContact O-N 2.97Å; E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.42Å
10	L	43.3	Very low	53.3	Low	144 Å²	144	134.8 Å²	134.8	75%	0.754	70%	0.697	S	S	*	*			trans	-60.4	98.3	164.3	-113.6	103.6	0	0	0	106.5	L8 L12	L8-L10 PolarHBondContact O-N 3.03Å; L10-L12 PolarHBondContact O-N 3Å
11	L	42.5	Very low	55.4	Low	163 Å²	163	131.6 Å²	131.6	85%	0.853	68%	0.681	S	S	*	*			trans	-61.2	85.7	161.3	-89.2	153.5	0	0	0	107.1	E9 P13	E9-L11 VanDerWaalsContact C-N 3.28Å; E9-L11 PolarHBondContact O-N 3.42Å; L11-P13 WeakPolarHBondContact O-CD 3.39Å
12	L	45.9	Very low	58.3	Low	141 Å²	141	121.6 Å²	121.6	74%	0.738	63%	0.631	S	S	*	*			trans	-57	119.3	159.3	-78.4	163.3	0	0	0	105.4	L10 L14	L10-L12 PolarHBondContact O-N 3Å; L12-L14 PolarHBondContact O-N 2.89Å
13	P	43.9	Very low	61.4	Low	101 Å²	101	114.4 Å²	114.4	66%	0.656	59%	0.592	S	S	*	*			trans	-59.3	117.5	176.3	23.7	-30.2	0	0	0	106.7	L11 V15	L11-P13 WeakPolarHBondContact O-CD 3.39Å; P13-V15 PolarHBondContact O-N 3.06Å
14	L	48.5	Very low	64.4	Low	169 Å²	169	109.2 Å²	109.2	89%	0.885	57%	0.57	S	S	*	*			trans	-63.5	94.5	169	-154.6	97.6	0	0	0	105.2	L12 A16	L12-L14 PolarHBondContact O-N 2.89Å; L14-A16 PolarHBondContact O-N 3.2Å
15	V	55.2	Low	66.8	Low	48 Å²	48	105 Å²	105	29%	0.291	54%	0.541	S	S	.	.			trans	-61.4	111.3	172.4	-178.5	0	0	0	0	104.8	P13 A17 Y39	P13-V15 PolarHBondContact O-N 3.06Å; V15-A17 PolarHBondContact O-N 3.49Å; V15-Y39 HydrophobicContact CG2-CE2 4.34Å
16	A	61.8	Low	69.3	Low	84 Å²	84	102.9 Å²	102.9	69%	0.694	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-58.1	130.8	175.7	0	0	0	0	0	107.9	L14	L14-A16 PolarHBondContact O-N 3.2Å
17	A	79.8	Confident	72.1	Confident	78 Å²	78	97.3 Å²	97.3	65%	0.645	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-55.6	144.2	175.7	0	0	0	0	0	110	V15 D19	V15-A17 PolarHBondContact O-N 3.49Å; A17-D19 PolarHBondContact O-N 3.03Å
18	L	94.2	Very high	74.7	Confident	18 Å²	18	86.6 Å²	86.6	9%	0.094	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-56.2	131.5	177	-171.1	64.2	0	0	0	110.3	H23 F31 L94 H95 D98	L18-H23 WeakPolarHBondContact CD1-NE2 3.45Å; L18-F31 HydrophobicContact CB-CE2 4.14Å; L18-F31 HydrophobicContact CD1-CB 4.38Å; L18-F31 HydrophobicContact CD1-CD2 3.44Å; L18-F31 VanDerWaalsContact CD1-CD2 3.44Å; L18-F31 HydrophobicContact CD1-CE2 3.82Å; L18-F31 HydrophobicContact CD1-CG 3.94Å; L18-F31 HydrophobicContact CD2-CD2 4.25Å; L18-F31 HydrophobicContact CD2-CE1 4.27Å; L18-F31 HydrophobicContact CD2-CE2 3.96Å; L18-F31 HydrophobicContact CD2-CG 4.5Å; L18-F31 HydrophobicContact CD2-CZ 3.96Å; L18-F31 HydrophobicContact CG-CD2 4.3Å; L18-F31 HydrophobicContact CG-CE2 4.2Å; L18-L94 HydrophobicContact CD2-CB 3.61Å; L18-H95 PolarHBondContact O-CE1 3.47Å; L18-D98 HydrophobicContact CB-CB 4.34Å
19	D	95.6	Very high	77.5	Confident	83 Å²	83	81.2 Å²	81.2	44%	0.444	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-72.1	151.9	178.9	60.2	-58.8	0	0	0	111.9	A17 N21 H23 H95	A17-D19 PolarHBondContact O-N 3.03Å; D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.25Å; D19-N21 VanDerWaalsContact O-N 3.15Å; D19-N21 PolarHBondContact OD2-ND2 3.1Å; D19-H23 PolarHBondContact O-CE1 2.97Å; D19-H23 VanDerWaalsContact O-CE1 3.26Å; D19-H23 IonicContact OD1-NE2 2.71Å; D19-H23 PolarHBondContact OD1-NE2 3.06Å; D19-H95 PolarHBondContact O-CE1 3.37Å
20	F	97.6	Very high	80.4	Confident	66 Å²	66	75.9 Å²	75.9	29%	0.289	43%	0.432	S	S	.	.	S	Bend	trans	-90	64.2	-178.9	-80.1	-78.9	0	0	0	111.9	H95 L293 P294 W297	F20-H95 AromaticContact CD1-CD2 3.91Å; F20-H95 AromaticContact CD1-CE1 3.44Å; F20-H95 VanDerWaalsContact CD1-CE1 3.44Å; F20-H95 WeakPolarHBondContact CD1-CE1 3.42Å; F20-H95 AromaticContact CD1-NE2 3.17Å; F20-H95 WeakPolarHBondContact CD1-NE2 3.43Å; F20-H95 AromaticContact CE1-CD2 3.61Å; F20-H95 AromaticContact CE1-CE1 3.36Å; F20-H95 WeakPolarHBondContact CE1-CE1 3.35Å; F20-H95 AromaticContact CE1-CG 3.83Å; F20-H95 AromaticContact CE1-ND1 3.67Å; F20-H95 AromaticContact CE1-NE2 3.29Å; F20-H95 VanDerWaalsContact CE1-NE2 3.29Å; F20-H95 WeakPolarHBondContact CE1-NE2 3.26Å; F20-H95 AromaticContact CE2-CE1 3.97Å; F20-H95 AromaticContact CG-CE1 3.79Å; F20-H95 AromaticContact CG-NE2 3.85Å; F20-H95 AromaticContact CZ-CE1 3.63Å; F20-H95 AromaticContact CZ-ND1 3.71Å; F20-L293 HydrophobicContact CB-CB 4.32Å; F20-L293 HydrophobicContact CD1-CB 3.9Å; F20-P294 HydrophobicContact CB-CG 3.75Å; F20-P294 HydrophobicContact CD1-CB 4.34Å; F20-P294 HydrophobicContact CD1-CG 4Å; F20-P294 HydrophobicContact CD2-CB 4.4Å; F20-P294 HydrophobicContact CD2-CG 4.04Å; F20-P294 HydrophobicContact CG-CB 4.28Å; F20-P294 HydrophobicContact CG-CG 3.66Å; F20-W297 HydrophobicContact CE1-CB 3.59Å; F20-W297 AromaticContact CE1-CG 3.99Å; F20-W297 HydrophobicContact CE1-CG 3.99Å; F20-W297 HydrophobicContact CZ-CB 3.98Å; F20-W297 AromaticContact CZ-CD1 3.64Å; F20-W297 AromaticContact CZ-CG 3.92Å; F20-W297 HydrophobicContact CZ-CG 3.92Å
21	N	97.7	Very high	83	Confident	68 Å²	68	70.1 Å²	70.1	36%	0.364	40%	0.401	S	S	.	.	S	Bend	trans	-127.8	173.6	173.4	-61.7	-51	0	0	0	110.2	D19 H23	D19-N21 VanDerWaalsContact C-N 3.32Å; D19-N21 PolarHBondContact O-N 3.25Å; D19-N21 VanDerWaalsContact O-N 3.15Å; D19-N21 PolarHBondContact OD2-ND2 3.1Å; N21-H23 PolarHBondContact O-CE1 2.91Å; N21-H23 PolarHBondContact O-N 2.97Å; N21-H23 PolarHBondContact O-ND1 2.79Å
22	Y	98.4	Very high	85.7	Confident	22 Å²	22	62.3 Å²	62.3	9%	0.086	36%	0.36	C	S	.	.			trans	-76.5	124	175.3	-78.1	-65.2	0	0	0	112.5	H24 T87 E91 F130 Y287 P288 E290 L293	Y22-H24 PolarHBondContact O-N 3.24Å; Y22-T87 HydrophobicContact CE1-CG2 4.42Å; Y22-T87 WeakPolarHBondContact CE1-OG1 3.36Å; Y22-T87 PolarHBondContact OH-OG1 2.82Å; Y22-E91 HydrophobicContact CD1-CG 3.73Å; Y22-E91 WeakPolarHBondContact CD1-OE1 3.32Å; Y22-E91 HydrophobicContact CE1-CG 3.83Å; Y22-F130 HydrophobicContact CD1-CE2 4.39Å; Y22-F130 HydrophobicContact CD1-CZ 4.44Å; Y22-Y287 HydrophobicContact CD1-CE1 4.07Å; Y22-Y287 AromaticContact CD2-CE1 3.62Å; Y22-Y287 HydrophobicContact CD2-CE1 3.62Å; Y22-Y287 HydrophobicContact CE1-CD1 4.27Å; Y22-Y287 AromaticContact CE1-CE1 3.8Å; Y22-Y287 HydrophobicContact CE1-CE1 3.8Å; Y22-Y287 AromaticContact CE2-CD1 3.84Å; Y22-Y287 HydrophobicContact CE2-CD1 3.84Å; Y22-Y287 AromaticContact CE2-CE1 3.33Å; Y22-Y287 HydrophobicContact CE2-CE1 3.33Å; Y22-Y287 AromaticContact CG-CE1 4Å; Y22-Y287 HydrophobicContact CG-CE1 4Å; Y22-Y287 AromaticContact CZ-CD1 3.65Å; Y22-Y287 AromaticContact CZ-CE1 3.4Å; Y22-P288 WeakPolarHBondContact CE2-O 3.32Å; Y22-P288 VanDerWaalsContact OH-CD 3.32Å; Y22-P288 WeakPolarHBondContact OH-CD 3.34Å; Y22-P288 WeakPolarHBondContact OH-CG 3.49Å; Y22-P288 PolarHBondContact OH-O 3.26Å; Y22-E290 HydrophobicContact CD2-CG 3.26Å; Y22-E290 HydrophobicContact CE2-CG 3.59Å; Y22-E290 HydrophobicContact CG-CG 4.25Å; Y22-E290 PolarHBondContact N-OE1 2.75Å; Y22-E290 VanDerWaalsContact N-OE1 3.1Å; Y22-L293 HydrophobicContact CE1-CD1 4.4Å; Y22-L293 HydrophobicContact CE1-CD2 4.1Å; Y22-L293 HydrophobicContact CE2-CD1 4.46Å
23	H	98.5	Very high	88.2	Confident	15 Å²	15	59.8 Å²	59.8	7%	0.069	34%	0.343	C	S	.	.			trans	-92.1	93.5	179.1	-64.5	88.1	0	0	0	110.5	L18 D19 N21 M28 R90 E91 L94	L18-H23 WeakPolarHBondContact CD1-NE2 3.45Å; D19-H23 PolarHBondContact O-CE1 2.97Å; D19-H23 VanDerWaalsContact O-CE1 3.26Å; D19-H23 IonicContact OD1-NE2 2.71Å; D19-H23 PolarHBondContact OD1-NE2 3.06Å; N21-H23 PolarHBondContact O-CE1 2.91Å; N21-H23 PolarHBondContact O-N 2.97Å; N21-H23 PolarHBondContact O-ND1 2.79Å; H23-M28 HydrophobicContact CB-CB 4.11Å; H23-R90 VanDerWaalsContact O-CZ 3.25Å; H23-R90 PolarHBondContact O-NE 2.85Å; H23-R90 PolarHBondContact O-NH2 2.86Å; H23-E91 IonicContact CE1-OE2 3.49Å; H23-E91 IonicContact CG-OE2 2.79Å; H23-E91 PolarHBondContact N-OE1 2.89Å; H23-E91 IonicContact ND1-OE2 3.03Å; H23-E91 PolarHBondContact ND1-OE2 3.17Å; H23-L94 HydrophobicContact CB-CD1 3.64Å
24	H	98.3	Very high	90.8	Very high	79 Å²	79	58 Å²	58	37%	0.366	33%	0.33	S	S	.	.			trans	-59.5	167.2	166.8	-72.5	-88.5	0	0	0	112.1	Y22 E26 G27 M28 F130 E131	Y22-H24 PolarHBondContact O-N 3.24Å; H24-E26 VanDerWaalsContact C-N 3.28Å; H24-E26 PolarHBondContact O-N 3.23Å; H24-E26 VanDerWaalsContact O-N 3.09Å; H24-G27 PolarHBondContact O-N 3.34Å; H24-M28 WeakPolarHBondContact O-CB 3.03Å; H24-M28 PolarHBondContact O-N 2.82Å; H24-F130 HydrophobicContact CB-CE1 4.49Å; H24-F130 AromaticContact CE1-CE1 3.79Å; H24-F130 AromaticContact CG-CE1 3.98Å; H24-F130 AromaticContact ND1-CE1 3.53Å; H24-E131 WeakPolarHBondContact CA-OE1 3.49Å; H24-E131 WeakPolarHBondContact CB-OE1 3.25Å; H24-E131 IonicContact CE1-OE2 3.87Å; H24-E131 IonicContact CG-OE1 3.48Å; H24-E131 IonicContact CG-OE2 2.78Å; H24-E131 IonicContact ND1-OE1 3.37Å; H24-E131 PolarHBondContact ND1-OE1 3.01Å; H24-E131 IonicContact ND1-OE2 3.85Å; H24-E131 PolarHBondContact ND1-OE2 2.81Å
25	Q	96.3	Very high	93.2	Very high	22 Å²	22	50.2 Å²	50.2	10%	0.103	29%	0.29	C	S	.	.	H	α-helix	trans	-44.9	-49.7	-171.6	-173.9	71.3	13.5	0	0	113	E29 E131	Q25-E29 HydrophobicContact CG-CG 4.43Å; Q25-E29 PolarHBondContact NE2-OE1 2.85Å; Q25-E29 VanDerWaalsContact O-CB 3.3Å; Q25-E29 WeakPolarHBondContact O-CB 3.43Å; Q25-E29 VanDerWaalsContact O-CG 3.25Å; Q25-E29 WeakPolarHBondContact O-CG 3.4Å; Q25-E29 PolarHBondContact O-N 3.37Å; Q25-E131 PolarHBondContact N-OE1 3.12Å
26	E	96.9	Very high	95.2	Very high	173 Å²	173	48.9 Å²	48.9	81%	0.808	28%	0.284	S	S	*	.	H	α-helix	trans	-63.2	-47.3	-179	-66.3	-174.5	174.3	0	0	112.4	H24 E29 A30	H24-E26 VanDerWaalsContact C-N 3.28Å; H24-E26 PolarHBondContact O-N 3.23Å; H24-E26 VanDerWaalsContact O-N 3.09Å; E26-E29 PolarHBondContact O-N 3.04Å; E26-A30 VanDerWaalsContact O-CB 3.26Å; E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 3.26Å
27	G	98.1	Very high	96.9	Very high	34 Å²	34	51.7 Å²	51.7	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-44.7	178.6	0	0	0	0	0	112.4	H24 A30 F31	H24-G27 PolarHBondContact O-N 3.34Å; G27-A30 PolarHBondContact O-N 2.94Å; G27-F31 WeakPolarHBondContact O-CB 3.46Å; G27-F31 PolarHBondContact O-N 2.92Å
28	M	98.6	Very high	97.8	Very high	3 Å²	3	52 Å²	52	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-61.5	-46.7	175.9	-176	-169.4	69.2	0	0	111.2	H23 H24 F31 L32 R90 L94 P123	H23-M28 HydrophobicContact CB-CB 4.11Å; H24-M28 WeakPolarHBondContact O-CB 3.03Å; H24-M28 PolarHBondContact O-N 2.82Å; M28-F31 PolarHBondContact O-N 2.93Å; M28-L32 HydrophobicContact CG-CD1 4.1Å; M28-L32 VanDerWaalsContact O-CG 3.27Å; M28-L32 WeakPolarHBondContact O-CG 3.03Å; M28-L32 PolarHBondContact O-N 2.89Å; M28-R90 PolarHBondContact SD-NH2 2.98Å; M28-L94 HydrophobicContact CG-CD1 4.05Å; M28-L94 HydrophobicContact CG-CD2 3.83Å; M28-P123 HydrophobicContact SD-CB 4.04Å
29	E	98.4	Very high	98	Very high	31 Å²	31	53.4 Å²	53.4	15%	0.145	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-42	177.7	-76.4	-157.8	-175.6	0	0	112.4	Q25 E26 L32 K33 W58	Q25-E29 HydrophobicContact CG-CG 4.43Å; Q25-E29 PolarHBondContact NE2-OE1 2.85Å; Q25-E29 VanDerWaalsContact O-CB 3.3Å; Q25-E29 WeakPolarHBondContact O-CB 3.43Å; Q25-E29 VanDerWaalsContact O-CG 3.25Å; Q25-E29 WeakPolarHBondContact O-CG 3.4Å; Q25-E29 PolarHBondContact O-N 3.37Å; E26-E29 PolarHBondContact O-N 3.04Å; E29-L32 PolarHBondContact O-N 2.83Å; E29-K33 WeakPolarHBondContact O-CB 3.25Å; E29-K33 WeakPolarHBondContact O-CD 3.41Å; E29-K33 VanDerWaalsContact O-CG 3.25Å; E29-K33 WeakPolarHBondContact O-CG 3.3Å; E29-K33 PolarHBondContact O-N 2.88Å; E29-K33 IonicContact OE2-NZ 3.94Å; E29-K33 PolarHBondContact OE2-NZ 2.84Å; E29-W58 PolarHBondContact OE1-NE1 3.08Å
30	A	98.3	Very high	98.1	Very high	51 Å²	51	53.2 Å²	53.2	42%	0.421	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-46.1	177.5	0	0	0	0	0	110.8	E26 G27 T34	E26-A30 VanDerWaalsContact O-CB 3.26Å; E26-A30 WeakPolarHBondContact O-CB 3.44Å; E26-A30 PolarHBondContact O-N 3.26Å; G27-A30 PolarHBondContact O-N 2.94Å; A30-T34 VanDerWaalsContact O-CB 3.28Å; A30-T34 WeakPolarHBondContact O-CB 3.35Å; A30-T34 PolarHBondContact O-N 3.27Å; A30-T34 PolarHBondContact O-OG1 3.44Å
31	F	98.6	Very high	98.1	Very high	23 Å²	23	54.3 Å²	54.3	10%	0.101	30%	0.299	C	S	.	.	H	α-helix	trans	-58.2	-53.7	175.1	169	-103.6	0	0	0	111.8	L18 G27 M28 K33 T34 V35 L94 I97 D98	L18-F31 HydrophobicContact CB-CE2 4.14Å; L18-F31 HydrophobicContact CD1-CB 4.38Å; L18-F31 HydrophobicContact CD1-CD2 3.44Å; L18-F31 VanDerWaalsContact CD1-CD2 3.44Å; L18-F31 HydrophobicContact CD1-CE2 3.82Å; L18-F31 HydrophobicContact CD1-CG 3.94Å; L18-F31 HydrophobicContact CD2-CD2 4.25Å; L18-F31 HydrophobicContact CD2-CE1 4.27Å; L18-F31 HydrophobicContact CD2-CE2 3.96Å; L18-F31 HydrophobicContact CD2-CG 4.5Å; L18-F31 HydrophobicContact CD2-CZ 3.96Å; L18-F31 HydrophobicContact CG-CD2 4.3Å; L18-F31 HydrophobicContact CG-CE2 4.2Å; G27-F31 WeakPolarHBondContact O-CB 3.46Å; G27-F31 PolarHBondContact O-N 2.92Å; M28-F31 PolarHBondContact O-N 2.93Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 2.86Å; F31-T34 PolarHBondContact O-N 2.98Å; F31-T34 VanDerWaalsContact O-N 3.13Å; F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE1-CG2 4.19Å; F31-V35 HydrophobicContact CE2-CG2 3.54Å; F31-V35 HydrophobicContact CZ-CG2 3.66Å; F31-V35 WeakPolarHBondContact O-CG2 3.29Å; F31-V35 PolarHBondContact O-N 2.88Å; F31-L94 HydrophobicContact CD1-CB 4.41Å; F31-L94 HydrophobicContact CD1-CD2 3.78Å; F31-L94 HydrophobicContact CE1-CB 4.04Å; F31-L94 HydrophobicContact CE1-CD2 3.91Å; F31-L94 WeakPolarHBondContact CZ-O 3.4Å; F31-I97 HydrophobicContact CE1-CB 4.16Å; F31-I97 HydrophobicContact CE1-CG2 3.93Å; F31-I97 HydrophobicContact CZ-CB 4.25Å; F31-I97 HydrophobicContact CZ-CG2 3.92Å; F31-D98 HydrophobicContact CE2-CB 4.26Å; F31-D98 HydrophobicContact CZ-CB 4.03Å
32	L	98.8	Very high	98.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.3	-42.6	-177.6	-68.3	174.4	0	0	0	112.1	M28 E29 A36 L45 W58 L60 L94 I97 P123	M28-L32 HydrophobicContact CG-CD1 4.1Å; M28-L32 VanDerWaalsContact O-CG 3.27Å; M28-L32 WeakPolarHBondContact O-CG 3.03Å; M28-L32 PolarHBondContact O-N 2.89Å; E29-L32 PolarHBondContact O-N 2.83Å; L32-A36 VanDerWaalsContact O-CB 3.32Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.27Å; L32-L45 HydrophobicContact CB-CD1 3.98Å; L32-L45 HydrophobicContact CB-CD2 4.01Å; L32-L45 HydrophobicContact CD1-CD1 4.33Å; L32-W58 HydrophobicContact CD1-CB 3.72Å; L32-W58 HydrophobicContact CD1-CG 4.13Å; L32-L60 HydrophobicContact CB-CD1 4.46Å; L32-L60 HydrophobicContact CD2-CB 4.07Å; L32-L60 HydrophobicContact CD2-CD1 3.87Å; L32-L94 HydrophobicContact CD2-CD2 4.09Å; L32-L94 HydrophobicContact CG-CD2 4.4Å; L32-I97 HydrophobicContact CD2-CD1 3.58Å; L32-P123 HydrophobicContact CD1-CG 4.43Å; L32-P123 HydrophobicContact CD2-CG 4.33Å
33	K	98.6	Very high	98.2	Very high	87 Å²	87	50.5 Å²	50.5	38%	0.378	28%	0.28	S	S	.	.	H	α-helix	trans	-65.5	-40.4	176.6	-73	167.8	-176.7	157.4	0	111.5	E29 F31 A36 Q37 L45	E29-K33 WeakPolarHBondContact O-CB 3.25Å; E29-K33 WeakPolarHBondContact O-CD 3.41Å; E29-K33 VanDerWaalsContact O-CG 3.25Å; E29-K33 WeakPolarHBondContact O-CG 3.3Å; E29-K33 PolarHBondContact O-N 2.88Å; E29-K33 IonicContact OE2-NZ 3.94Å; E29-K33 PolarHBondContact OE2-NZ 2.84Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 2.86Å; K33-A36 PolarHBondContact O-N 3.01Å; K33-Q37 VanDerWaalsContact O-CG 3.32Å; K33-Q37 WeakPolarHBondContact O-CG 2.97Å; K33-Q37 PolarHBondContact O-N 3.03Å; K33-L45 HydrophobicContact CB-CD2 4.45Å; K33-L45 HydrophobicContact CG-CD2 3.77Å
34	T	98.5	Very high	98.2	Very high	63 Å²	63	52.4 Å²	52.4	39%	0.387	29%	0.289	S	S	.	.	H	α-helix	trans	-64.8	-46.1	178.2	-59	0	0	0	0	111.2	A30 F31 A36 Q37 N38	A30-T34 VanDerWaalsContact O-CB 3.28Å; A30-T34 WeakPolarHBondContact O-CB 3.35Å; A30-T34 PolarHBondContact O-N 3.27Å; A30-T34 PolarHBondContact O-OG1 3.44Å; F31-T34 PolarHBondContact O-N 2.98Å; F31-T34 VanDerWaalsContact O-N 3.13Å; T34-A36 VanDerWaalsContact C-N 3.33Å; T34-A36 PolarHBondContact O-N 3.05Å; T34-Q37 PolarHBondContact O-N 3.03Å; T34-N38 WeakPolarHBondContact O-CB 3.36Å; T34-N38 PolarHBondContact O-N 2.84Å
35	V	98.5	Very high	98.2	Very high	6 Å²	6	50.1 Å²	50.1	4%	0.036	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-45.5	175.2	172.1	0	0	0	0	110.6	F31 Q37 N38 Y39 T43 L60 I97 V101	F31-V35 HydrophobicContact CD2-CG2 3.99Å; F31-V35 HydrophobicContact CE1-CG2 4.19Å; F31-V35 HydrophobicContact CE2-CG2 3.54Å; F31-V35 HydrophobicContact CZ-CG2 3.66Å; F31-V35 WeakPolarHBondContact O-CG2 3.29Å; F31-V35 PolarHBondContact O-N 2.88Å; V35-Q37 PolarHBondContact O-N 2.86Å; V35-N38 PolarHBondContact O-N 2.82Å; V35-Y39 HydrophobicContact CG1-CD2 4.2Å; V35-Y39 WeakPolarHBondContact O-CB 3.47Å; V35-Y39 PolarHBondContact O-N 3.34Å; V35-T43 HydrophobicContact CG1-CG2 4.21Å; V35-L60 HydrophobicContact CB-CD1 4.12Å; V35-L60 HydrophobicContact CG1-CD1 3.91Å; V35-I97 HydrophobicContact CB-CG2 4.42Å; V35-I97 HydrophobicContact CG1-CG2 3.81Å; V35-I97 HydrophobicContact CG2-CG2 4.23Å; V35-V101 HydrophobicContact CG1-CG1 3.94Å; V35-V101 HydrophobicContact CG1-CG2 4.17Å
36	A	98.3	Very high	98.4	Very high	20 Å²	20	51.3 Å²	51.3	17%	0.165	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-31.3	178.8	0	0	0	0	0	113.4	L32 K33 T34 S40 T43 L45	L32-A36 VanDerWaalsContact O-CB 3.32Å; L32-A36 WeakPolarHBondContact O-CB 3.23Å; L32-A36 PolarHBondContact O-N 3.27Å; K33-A36 PolarHBondContact O-N 3.01Å; T34-A36 VanDerWaalsContact C-N 3.33Å; T34-A36 PolarHBondContact O-N 3.05Å; A36-S40 VanDerWaalsContact O-CA 3.3Å; A36-S40 WeakPolarHBondContact O-CA 3.38Å; A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 2.93Å; A36-T43 WeakPolarHBondContact CA-OG1 3.24Å; A36-L45 HydrophobicContact CB-CB 3.67Å; A36-L45 HydrophobicContact CB-CD2 4.42Å
37	Q	97.9	Very high	98.4	Very high	144 Å²	144	45.1 Å²	45.1	67%	0.673	26%	0.26	S	S	*	.	H	α-helix	trans	-77.9	-50.9	175.2	-73.1	175	-5	0	0	111.7	K33 T34 V35 Y39	K33-Q37 VanDerWaalsContact O-CG 3.32Å; K33-Q37 WeakPolarHBondContact O-CG 2.97Å; K33-Q37 PolarHBondContact O-N 3.03Å; T34-Q37 PolarHBondContact O-N 3.03Å; V35-Q37 PolarHBondContact O-N 2.86Å; Q37-Y39 VanDerWaalsContact C-N 3.34Å; Q37-Y39 PolarHBondContact O-N 2.82Å
38	N	97.9	Very high	98.5	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	25%	0.25	S	S	.	.	H	α-helix	trans	-70.9	-29.4	-174.3	-71.4	-4.5	0	0	0	113	T34 V35	T34-N38 WeakPolarHBondContact O-CB 3.36Å; T34-N38 PolarHBondContact O-N 2.84Å; V35-N38 PolarHBondContact O-N 2.82Å
39	Y	98.1	Very high	98.5	Very high	47 Å²	47	45.8 Å²	45.8	18%	0.184	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	34.6	-177.3	-60.2	-87.1	0	0	0	111.8	V15 V35 Q37 S41 I42 T43 V101	V15-Y39 HydrophobicContact CG2-CE2 4.34Å; V35-Y39 HydrophobicContact CG1-CD2 4.2Å; V35-Y39 WeakPolarHBondContact O-CB 3.47Å; V35-Y39 PolarHBondContact O-N 3.34Å; Q37-Y39 VanDerWaalsContact C-N 3.34Å; Q37-Y39 PolarHBondContact O-N 2.82Å; Y39-S41 PolarHBondContact O-N 2.99Å; Y39-I42 PolarHBondContact O-N 2.75Å; Y39-T43 VanDerWaalsContact C-OG1 3.25Å; Y39-T43 WeakPolarHBondContact O-CB 3.38Å; Y39-T43 PolarHBondContact O-N 3.2Å; Y39-T43 PolarHBondContact O-OG1 2.88Å; Y39-V101 HydrophobicContact CD1-CB 3.8Å; Y39-V101 HydrophobicContact CD1-CG2 4.34Å; Y39-V101 HydrophobicContact CD2-CB 3.91Å; Y39-V101 HydrophobicContact CD2-CG2 3.73Å; Y39-V101 HydrophobicContact CE1-CB 4.08Å; Y39-V101 HydrophobicContact CE1-CG2 4.27Å; Y39-V101 VanDerWaalsContact CE1-O 3.26Å; Y39-V101 WeakPolarHBondContact CE1-O 3.45Å; Y39-V101 HydrophobicContact CE2-CB 4.19Å; Y39-V101 HydrophobicContact CE2-CG2 3.66Å; Y39-V101 HydrophobicContact CG-CB 3.7Å; Y39-V101 HydrophobicContact CG-CG1 4.28Å; Y39-V101 HydrophobicContact CG-CG2 4.07Å
40	S	98.1	Very high	98.5	Very high	79 Å²	79	50 Å²	50	55%	0.552	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.5	-174.5	67.8	0	0	0	0	114.7	A36 I42	A36-S40 VanDerWaalsContact O-CA 3.3Å; A36-S40 WeakPolarHBondContact O-CA 3.38Å; A36-S40 VanDerWaalsContact O-CB 3.28Å; A36-S40 WeakPolarHBondContact O-CB 3.42Å; A36-S40 PolarHBondContact O-N 2.93Å; S40-I42 VanDerWaalsContact C-N 3.33Å
41	S	98.1	Very high	98.5	Very high	89 Å²	89	47.9 Å²	47.9	62%	0.622	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-30.2	176.1	53.5	0	0	0	0	113.1	Y39	Y39-S41 PolarHBondContact O-N 2.99Å
42	I	98.6	Very high	98.6	Very high	6 Å²	6	49 Å²	49	3%	0.031	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	3.1	-175.3	63	173.1	0	0	0	112.7	Y39 S40 V62 G63 V101 D104	Y39-I42 PolarHBondContact O-N 2.75Å; S40-I42 VanDerWaalsContact C-N 3.33Å; I42-V62 CarbonylContact O-C 3.47Å; I42-V62 WeakPolarHBondContact O-CA 3.28Å; I42-G63 CarbonylContact C-O 3.11Å; I42-G63 VanDerWaalsContact CA-O 3.31Å; I42-G63 WeakPolarHBondContact CA-O 3.36Å; I42-G63 PolarHBondContact O-N 3.17Å; I42-G63 VanDerWaalsContact O-O 3.11Å; I42-V101 HydrophobicContact CD1-CG1 4.48Å; I42-D104 HydrophobicContact CD1-CB 3.86Å; I42-D104 WeakPolarHBondContact CD1-OD2 3.22Å
43	T	98.9	Very high	98.5	Very high	4 Å²	4	54.4 Å²	54.4	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	151.8	-179.4	64.7	0	0	0	0	113.9	V35 A36 Y39 L60 V61 V62 V101	V35-T43 HydrophobicContact CG1-CG2 4.21Å; A36-T43 WeakPolarHBondContact CA-OG1 3.24Å; Y39-T43 VanDerWaalsContact C-OG1 3.25Å; Y39-T43 WeakPolarHBondContact O-CB 3.38Å; Y39-T43 PolarHBondContact O-N 3.2Å; Y39-T43 PolarHBondContact O-OG1 2.88Å; T43-L60 HydrophobicContact CG2-CD2 4.06Å; T43-V61 CarbonylContact C-O 3.52Å; T43-V61 WeakPolarHBondContact CA-O 3.46Å; T43-V62 HydrophobicContact CG2-CG2 4.36Å; T43-V101 HydrophobicContact CG2-CG1 3.67Å
44	H	98.8	Very high	98.5	Very high	56 Å²	56	51.9 Å²	51.9	26%	0.259	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	112.1	171.6	177	48.2	0	0	0	110.5	V61 P66 K67	H44-V61 HydrophobicContact CB-CB 4.3Å; H44-V61 PolarHBondContact N-O 3.44Å; H44-V61 PolarHBondContact O-N 2.96Å; H44-P66 HydrophobicContact CB-CB 3.9Å; H44-P66 HydrophobicContact CB-CG 4.5Å; H44-K67 HydrophobicContact CB-CG 4.02Å
45	L	98.9	Very high	98.6	Very high	30 Å²	30	52 Å²	52	16%	0.157	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	130.9	172.9	-179.7	66.9	0	0	0	110.4	L32 K33 A36 W58 L60	L32-L45 HydrophobicContact CB-CD1 3.98Å; L32-L45 HydrophobicContact CB-CD2 4.01Å; L32-L45 HydrophobicContact CD1-CD1 4.33Å; K33-L45 HydrophobicContact CB-CD2 4.45Å; K33-L45 HydrophobicContact CG-CD2 3.77Å; A36-L45 HydrophobicContact CB-CB 3.67Å; A36-L45 HydrophobicContact CB-CD2 4.42Å; L45-W58 HydrophobicContact CD1-CB 4.17Å; L45-W58 HydrophobicContact CD1-CD2 4.19Å; L45-W58 HydrophobicContact CD1-CE3 3.63Å; L45-W58 HydrophobicContact CD1-CG 4.45Å; L45-W58 HydrophobicContact CD1-CZ3 4.4Å; L45-W58 HydrophobicContact CD2-CE3 4.05Å; L45-W58 HydrophobicContact CD2-CZ3 4.13Å; L45-W58 HydrophobicContact CG-CE3 3.69Å; L45-W58 HydrophobicContact CG-CZ3 3.95Å; L45-L60 HydrophobicContact CD1-CB 4.23Å
46	H	98.8	Very high	98.6	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.222	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169.2	170.5	69	-72.5	0	0	0	110.3	V59	H46-V59 PolarHBondContact N-O 2.74Å; H46-V59 PolarHBondContact ND1-O 2.93Å; H46-V59 PolarHBondContact O-N 3.35Å
47	S	98.8	Very high	98.6	Very high	42 Å²	42	52.5 Å²	52.5	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.7	172.9	-174.5	0	0	0	0	110.7	G49 L57	S47-G49 VanDerWaalsContact C-N 3.34Å; S47-G49 PolarHBondContact OG-O 3.43Å; S47-L57 VanDerWaalsContact CA-O 3.26Å; S47-L57 WeakPolarHBondContact CA-O 3.21Å; S47-L57 PolarHBondContact OG-N 2.9Å; S47-L57 PolarHBondContact OG-O 3.29Å
48	I	98.8	Very high	98.7	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.138	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-6.5	-179.1	66.8	158.9	0	0	0	113.1	L57 V59 M122 A173 V174 W177	I48-L57 HydrophobicContact CG1-CB 3.77Å; I48-L57 HydrophobicContact CG1-CD1 4.45Å; I48-L57 PolarHBondContact N-O 2.85Å; I48-V59 HydrophobicContact CG2-CG2 3.67Å; I48-M122 HydrophobicContact CD1-CE 3.29Å; I48-M122 HydrophobicContact CG1-CE 3.63Å; I48-A173 HydrophobicContact CD1-CB 4.13Å; I48-A173 HydrophobicContact CG1-CB 4.22Å; I48-V174 HydrophobicContact CD1-CG2 3.84Å; I48-W177 HydrophobicContact CB-CB 4.04Å; I48-W177 HydrophobicContact CB-CG 4.24Å; I48-W177 HydrophobicContact CD1-CB 3.74Å; I48-W177 HydrophobicContact CD1-CD2 4.15Å; I48-W177 HydrophobicContact CD1-CE3 4.07Å; I48-W177 HydrophobicContact CD1-CG 4.06Å; I48-W177 HydrophobicContact CG2-CB 3.93Å; I48-W177 HydrophobicContact CG2-CD2 4.11Å; I48-W177 HydrophobicContact CG2-CG 3.59Å
49	G	98.8	Very high	98.7	Very high	25 Å²	25	43.3 Å²	43.3	26%	0.258	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	159.4	-169.8	-174.2	0	0	0	0	0	111.2	S47 L57	S47-G49 VanDerWaalsContact C-N 3.34Å; S47-G49 PolarHBondContact OG-O 3.43Å; G49-L57 PolarHBondContact O-N 2.73Å
50	K	98.9	Very high	98.7	Very high	119 Å²	119	41 Å²	41	52%	0.517	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.1	177.6	-66.3	-173.8	170.1	-144.4	0	110.6	R55 N56	K50-R55 CarbonylContact C-O 3.51Å; K50-R55 WeakPolarHBondContact CA-O 3.49Å; K50-N56 WeakPolarHBondContact CE-OD1 3.31Å
51	S	98.9	Very high	98.8	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.042	20%	0.203	C	C	.	.			trans	-64.2	172.2	166.8	72	0	0	0	0	111.4	K53 G54 R55 D128 E170	S51-K53 PolarHBondContact O-N 3.43Å; S51-K53 PolarHBondContact OG-N 2.65Å; S51-G54 PolarHBondContact O-N 3.5Å; S51-G54 PolarHBondContact OG-N 3.02Å; S51-R55 PolarHBondContact N-O 3.05Å; S51-R55 WeakPolarHBondContact OG-CB 3.4Å; S51-R55 PolarHBondContact OG-N 2.87Å; S51-R55 PolarHBondContact OG-O 3.13Å; S51-D128 VanDerWaalsContact CB-CG 3.42Å; S51-D128 WeakPolarHBondContact CB-OD1 3.42Å; S51-D128 VanDerWaalsContact CB-OD2 3.25Å; S51-D128 WeakPolarHBondContact CB-OD2 3.4Å; S51-D128 PolarHBondContact OG-OD1 3.18Å; S51-D128 PolarHBondContact OG-OD2 3.11Å; S51-E170 WeakPolarHBondContact CA-OE1 3.36Å; S51-E170 VanDerWaalsContact CB-OE1 3.3Å; S51-E170 WeakPolarHBondContact CB-OE1 3.43Å
52	V	98.8	Very high	98.8	Very high	46 Å²	46	33 Å²	33	28%	0.279	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.2	175.2	-177.4	0	0	0	0	112.5	G54 D128 Y147 N148 P169 E170	V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 3.22Å; V52-D128 PolarHBondContact N-OD2 3.41Å; V52-Y147 HydrophobicContact CB-CD1 4.18Å; V52-Y147 HydrophobicContact CB-CG 4.36Å; V52-Y147 HydrophobicContact CG1-CD1 3.52Å; V52-Y147 HydrophobicContact CG1-CE1 4.36Å; V52-Y147 HydrophobicContact CG1-CG 4.18Å; V52-N148 WeakPolarHBondContact CG2-ND2 3.33Å; V52-P169 HydrophobicContact CG2-CG 3.84Å; V52-E170 PolarHBondContact N-OE1 2.81Å
53	K	98.6	Very high	98.8	Very high	114 Å²	114	32.8 Å²	32.8	50%	0.496	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.3	176.8	-61.5	-72.3	-115.4	-172.4	0	113.7	S51 D128 Y147	S51-K53 PolarHBondContact O-N 3.43Å; S51-K53 PolarHBondContact OG-N 2.65Å; K53-D128 WeakPolarHBondContact CB-OD1 3.42Å; K53-D128 VanDerWaalsContact CB-OD2 3.32Å; K53-D128 WeakPolarHBondContact CB-OD2 3.16Å; K53-D128 HydrophobicContact CG-CB 4.4Å; K53-D128 VanDerWaalsContact CG-OD2 3.28Å; K53-D128 WeakPolarHBondContact CG-OD2 3.43Å; K53-D128 PolarHBondContact N-OD2 2.64Å; K53-Y147 HydrophobicContact CD-CD1 4.13Å; K53-Y147 HydrophobicContact CD-CD2 3.57Å; K53-Y147 HydrophobicContact CD-CE1 4.02Å; K53-Y147 HydrophobicContact CD-CE2 3.47Å; K53-Y147 VanDerWaalsContact CD-CE2 3.47Å; K53-Y147 HydrophobicContact CD-CG 3.89Å; K53-Y147 HydrophobicContact CG-CD1 4.41Å; K53-Y147 HydrophobicContact CG-CD2 3.63Å; K53-Y147 HydrophobicContact CG-CE2 4.08Å; K53-Y147 HydrophobicContact CG-CG 3.8Å; K53-Y147 PolarHBondContact NZ-OH 3.35Å
54	G	98.6	Very high	98.8	Very high	35 Å²	35	39 Å²	39	36%	0.361	20%	0.196	S	C	.	.	S	Bend	trans	81.4	12.3	176.1	0	0	0	0	0	114.9	S51 V52	S51-G54 PolarHBondContact O-N 3.5Å; S51-G54 PolarHBondContact OG-N 3.02Å; V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 3.22Å
55	R	98.8	Very high	98.7	Very high	66 Å²	66	40.7 Å²	40.7	25%	0.249	20%	0.202	C	C	.	.			trans	-74.1	137.2	173.5	-61.2	-173.5	174.4	89.1	-5.9	109.5	K50 S51 P127 D128 E131	K50-R55 CarbonylContact C-O 3.51Å; K50-R55 WeakPolarHBondContact CA-O 3.49Å; S51-R55 PolarHBondContact N-O 3.05Å; S51-R55 WeakPolarHBondContact OG-CB 3.4Å; S51-R55 PolarHBondContact OG-N 2.87Å; S51-R55 PolarHBondContact OG-O 3.13Å; R55-P127 HydrophobicContact CB-CB 4.25Å; R55-P127 HydrophobicContact CB-CG 3.8Å; R55-D128 WeakPolarHBondContact CD-OD1 3.27Å; R55-D128 IonicContact CZ-OD1 3.83Å; R55-D128 IonicContact NE-OD1 3.33Å; R55-D128 IonicContact NH1-OD1 3.82Å; R55-D128 PolarHBondContact NH1-OD1 2.94Å; R55-E131 VanDerWaalsContact NH2-CB 3.34Å
56	N	98.8	Very high	98.7	Very high	35 Å²	35	39.8 Å²	39.8	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	139.3	179.8	-67.5	-62.7	0	0	0	110.7	K50 W58	K50-N56 WeakPolarHBondContact CE-OD1 3.31Å; N56-W58 HydrophobicContact CB-CD2 3.92Å; N56-W58 HydrophobicContact CB-CG 4.22Å; N56-W58 HydrophobicContact CB-CH2 4.43Å; N56-W58 HydrophobicContact CB-CZ2 3.68Å; N56-W58 VanDerWaalsContact CB-NE1 3.32Å; N56-W58 WeakPolarHBondContact ND2-CZ2 3.09Å; N56-W58 PolarHBondContact O-N 2.78Å
57	L	98.9	Very high	98.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	89.2	169.3	-56.8	-179.6	0	0	0	107.4	S47 I48 G49 M122 M125 P127 E170 A173	S47-L57 VanDerWaalsContact CA-O 3.26Å; S47-L57 WeakPolarHBondContact CA-O 3.21Å; S47-L57 PolarHBondContact OG-N 2.9Å; S47-L57 PolarHBondContact OG-O 3.29Å; I48-L57 HydrophobicContact CG1-CB 3.77Å; I48-L57 HydrophobicContact CG1-CD1 4.45Å; I48-L57 PolarHBondContact N-O 2.85Å; G49-L57 PolarHBondContact O-N 2.73Å; L57-M122 HydrophobicContact CB-CE 4.26Å; L57-M125 VanDerWaalsContact CD2-O 3.3Å; L57-M125 WeakPolarHBondContact CD2-O 3.27Å; L57-P127 HydrophobicContact CD2-CG 3.98Å; L57-E170 HydrophobicContact CD1-CB 4.27Å; L57-E170 HydrophobicContact CD1-CG 4.31Å; L57-E170 HydrophobicContact CD2-CG 4.35Å; L57-A173 HydrophobicContact CD1-CB 3.67Å
58	W	98.9	Very high	98.5	Very high	35 Å²	35	47.6 Å²	47.6	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	139.9	-173.5	-68.3	110.9	0	0	0	112.1	E29 L32 L45 N56	E29-W58 PolarHBondContact OE1-NE1 3.08Å; L32-W58 HydrophobicContact CD1-CB 3.72Å; L32-W58 HydrophobicContact CD1-CG 4.13Å; L45-W58 HydrophobicContact CD1-CB 4.17Å; L45-W58 HydrophobicContact CD1-CD2 4.19Å; L45-W58 HydrophobicContact CD1-CE3 3.63Å; L45-W58 HydrophobicContact CD1-CG 4.45Å; L45-W58 HydrophobicContact CD1-CZ3 4.4Å; L45-W58 HydrophobicContact CD2-CE3 4.05Å; L45-W58 HydrophobicContact CD2-CZ3 4.13Å; L45-W58 HydrophobicContact CG-CE3 3.69Å; L45-W58 HydrophobicContact CG-CZ3 3.95Å; N56-W58 HydrophobicContact CB-CD2 3.92Å; N56-W58 HydrophobicContact CB-CG 4.22Å; N56-W58 HydrophobicContact CB-CH2 4.43Å; N56-W58 HydrophobicContact CB-CZ2 3.68Å; N56-W58 VanDerWaalsContact CB-NE1 3.32Å; N56-W58 WeakPolarHBondContact ND2-CZ2 3.09Å; N56-W58 PolarHBondContact O-N 2.78Å
59	V	98.9	Very high	98.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.8	169.5	179.1	0	0	0	0	108	H46 I48 V61 H120 I121 M122 W177	H46-V59 PolarHBondContact N-O 2.74Å; H46-V59 PolarHBondContact ND1-O 2.93Å; H46-V59 PolarHBondContact O-N 3.35Å; I48-V59 HydrophobicContact CG2-CG2 3.67Å; V59-V61 HydrophobicContact CG1-CG2 4.38Å; V59-H120 HydrophobicContact CG1-CB 3.9Å; V59-I121 WeakPolarHBondContact CA-O 3.49Å; V59-M122 HydrophobicContact CG2-CB 4.2Å; V59-M122 HydrophobicContact CG2-CE 3.44Å; V59-M122 VanDerWaalsContact CG2-CE 3.44Å; V59-W177 HydrophobicContact CG1-CZ2 4.05Å; V59-W177 HydrophobicContact CG2-CH2 4.49Å; V59-W177 HydrophobicContact CG2-CZ2 4.12Å
60	L	98.9	Very high	98.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	117.4	169.7	-167.5	146.2	0	0	0	108.7	L32 V35 T43 L45 V62 I97 I121	L32-L60 HydrophobicContact CB-CD1 4.46Å; L32-L60 HydrophobicContact CD2-CB 4.07Å; L32-L60 HydrophobicContact CD2-CD1 3.87Å; V35-L60 HydrophobicContact CB-CD1 4.12Å; V35-L60 HydrophobicContact CG1-CD1 3.91Å; T43-L60 HydrophobicContact CG2-CD2 4.06Å; L45-L60 HydrophobicContact CD1-CB 4.23Å; L60-V62 HydrophobicContact CD2-CG2 3.49Å; L60-V62 VanDerWaalsContact CD2-CG2 3.49Å; L60-I97 HydrophobicContact CB-CD1 4.04Å; L60-I97 HydrophobicContact CD1-CG2 4.18Å; L60-I97 HydrophobicContact CD2-CD1 4.44Å; L60-I97 HydrophobicContact CD2-CG1 4.27Å; L60-I97 HydrophobicContact CD2-CG2 3.96Å; L60-I121 PolarHBondContact N-O 2.85Å; L60-I121 PolarHBondContact O-N 2.91Å
61	V	98.9	Very high	98.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	134.6	173.9	-171.5	0	0	0	0	108.8	T43 H44 V59 P66 R118 I119 H120	T43-V61 CarbonylContact C-O 3.52Å; T43-V61 WeakPolarHBondContact CA-O 3.46Å; H44-V61 HydrophobicContact CB-CB 4.3Å; H44-V61 PolarHBondContact N-O 3.44Å; H44-V61 PolarHBondContact O-N 2.96Å; V59-V61 HydrophobicContact CG1-CG2 4.38Å; V61-P66 WeakPolarHBondContact CG1-O 3.48Å; V61-R118 HydrophobicContact CG1-CG 3.52Å; V61-I119 CarbonylContact C-O 3.28Å; V61-I119 VanDerWaalsContact CA-O 3.28Å; V61-I119 WeakPolarHBondContact CA-O 3.45Å; V61-H120 WeakPolarHBondContact CG2-ND1 3.38Å
62	V	98.9	Very high	98.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	127.6	170.6	-172.4	0	0	0	0	108.5	I42 T43 L60 L100 I114 I119	I42-V62 CarbonylContact O-C 3.47Å; I42-V62 WeakPolarHBondContact O-CA 3.28Å; T43-V62 HydrophobicContact CG2-CG2 4.36Å; L60-V62 HydrophobicContact CD2-CG2 3.49Å; L60-V62 VanDerWaalsContact CD2-CG2 3.49Å; V62-L100 HydrophobicContact CG1-CB 4.31Å; V62-L100 HydrophobicContact CG2-CD1 4.42Å; V62-I114 HydrophobicContact CG1-CD1 4.15Å; V62-I114 HydrophobicContact CG1-CG1 4.09Å; V62-I114 HydrophobicContact CG1-CG2 4.19Å; V62-I119 HydrophobicContact CB-CB 4.49Å; V62-I119 PolarHBondContact N-O 2.82Å; V62-I119 PolarHBondContact O-N 2.92Å
63	G	98.6	Very high	98.3	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.01	23%	0.23	C	C	.	.	S	Bend	trans	172.7	163.9	178.4	0	0	0	0	0	112	I42 F65 P66 I114	I42-G63 CarbonylContact C-O 3.11Å; I42-G63 VanDerWaalsContact CA-O 3.31Å; I42-G63 WeakPolarHBondContact CA-O 3.36Å; I42-G63 PolarHBondContact O-N 3.17Å; I42-G63 VanDerWaalsContact O-O 3.11Å; G63-F65 PolarHBondContact O-N 3.5Å; G63-P66 WeakPolarHBondContact O-CD 3.39Å; G63-I114 WeakPolarHBondContact CA-O 3.44Å
64	R	98.1	Very high	98.3	Very high	135 Å²	135	44.2 Å²	44.2	51%	0.509	21%	0.207	S	C	.	.	S	Bend	trans	-57.4	-33.2	179.2	-176.2	58	172.1	-162.4	4.3	114.1	I114 N115	R64-I114 PolarHBondContact N-O 2.04Å; R64-N115 WeakPolarHBondContact CD-OD1 3.45Å
65	F	97.8	Very high	98.3	Very high	90 Å²	90	42.6 Å²	42.6	40%	0.395	19%	0.19	S	C	.	.	S	Bend	trans	-125.8	79.1	176.8	-54.5	-78	0	0	0	108.2	G63 K67 E68 R70 I73	G63-F65 PolarHBondContact O-N 3.5Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 3.13Å; F65-E68 VanDerWaalsContact O-O 3.04Å; F65-R70 HydrophobicContact CB-CG 3.68Å; F65-R70 HydrophobicContact CD2-CG 3.67Å; F65-R70 HydrophobicContact CG-CG 3.8Å; F65-I73 HydrophobicContact CD2-CD1 4.03Å; F65-I73 HydrophobicContact CE2-CD1 4.34Å
66	P	98.1	Very high	98.3	Very high	12 Å²	12	39.4 Å²	39.4	8%	0.078	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-24.8	-161.8	28.4	-36	0	0	0	113.7	H44 V61 G63 R118	H44-P66 HydrophobicContact CB-CB 3.9Å; H44-P66 HydrophobicContact CB-CG 4.5Å; V61-P66 WeakPolarHBondContact CG1-O 3.48Å; G63-P66 WeakPolarHBondContact O-CD 3.39Å; P66-R118 PolarHBondContact O-NE 3.48Å; P66-R118 PolarHBondContact O-NH2 3.14Å
67	K	97.9	Very high	98.3	Very high	152 Å²	152	37.8 Å²	37.8	66%	0.661	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-21.2	-174.4	-65.1	-176.4	-177.3	178	0	114.5	H44 F65	H44-K67 HydrophobicContact CB-CG 4.02Å; F65-K67 VanDerWaalsContact C-N 3.35Å; F65-K67 PolarHBondContact O-N 3.13Å
68	E	95.8	Very high	98.3	Very high	101 Å²	101	37.8 Å²	37.8	47%	0.472	17%	0.169	S	C	.	.	S	Bend	trans	-139	142.4	-172.5	58.7	175.3	-147.5	0	0	111.3	F65 R70	F65-E68 VanDerWaalsContact O-O 3.04Å; E68-R70 WeakPolarHBondContact OE1-CD 3.49Å; E68-R70 IonicContact OE1-CZ 3.1Å; E68-R70 IonicContact OE1-NH1 2.82Å; E68-R70 PolarHBondContact OE1-NH1 2.77Å
69	H	97.7	Very high	98.3	Very high	17 Å²	17	36.1 Å²	36.1	8%	0.079	16%	0.163	C	C	.	.			trans	-58.9	144.5	166.9	174.6	71	0	0	0	111.1	I73 E75 Y348 E350	H69-I73 PolarHBondContact CE1-O 3.02Å; H69-E75 WeakPolarHBondContact CA-OE1 3.34Å; H69-E75 WeakPolarHBondContact CB-OE1 3.42Å; H69-E75 IonicContact CE1-OE1 2.97Å; H69-E75 IonicContact CG-OE1 2.76Å; H69-E75 IonicContact ND1-OE1 2.77Å; H69-E75 PolarHBondContact ND1-OE1 2.72Å; H69-Y348 AromaticContact CD2-CD2 3.68Å; H69-Y348 AromaticContact CD2-CE2 3.39Å; H69-Y348 WeakPolarHBondContact CD2-CE2 3.08Å; H69-E350 IonicContact CD2-OE2 2.75Å; H69-E350 IonicContact CE1-OE2 3.01Å; H69-E350 IonicContact NE2-OE1 3.9Å; H69-E350 IonicContact NE2-OE2 3.93Å; H69-E350 PolarHBondContact NE2-OE2 3.4Å
70	R	98	Very high	98.3	Very high	110 Å²	110	36.2 Å²	36.2	42%	0.415	16%	0.164	S	C	.	.			trans	-129.9	130.6	175.3	-59.3	-64.6	-65.7	-173.8	2.8	109.7	F65 E68 G72 I73	F65-R70 HydrophobicContact CB-CG 3.68Å; F65-R70 HydrophobicContact CD2-CG 3.67Å; F65-R70 HydrophobicContact CG-CG 3.8Å; E68-R70 WeakPolarHBondContact OE1-CD 3.49Å; E68-R70 IonicContact OE1-CZ 3.1Å; E68-R70 IonicContact OE1-NH1 2.82Å; E68-R70 PolarHBondContact OE1-NH1 2.77Å; R70-G72 PolarHBondContact O-N 3.32Å; R70-I73 HydrophobicContact CB-CB 4.31Å; R70-I73 HydrophobicContact CB-CD1 3.87Å; R70-I73 HydrophobicContact CB-CG1 4.1Å; R70-I73 HydrophobicContact CG-CD1 4.39Å; R70-I73 WeakPolarHBondContact O-CB 3.37Å; R70-I73 PolarHBondContact O-N 3.45Å
71	I	98.3	Very high	98.3	Very high	92 Å²	92	36.2 Å²	36.2	47%	0.472	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	129.5	-178.3	-71.4	160.5	0	0	0	111.1	I73 Q318 Y348 E350	I71-I73 VanDerWaalsContact C-N 3.25Å; I71-I73 PolarHBondContact O-N 3.44Å; I71-Q318 HydrophobicContact CG2-CG 4.37Å; I71-Y348 HydrophobicContact CG1-CG 4.33Å; I71-E350 WeakPolarHBondContact CA-OE1 3.42Å; I71-E350 HydrophobicContact CG1-CG 4.43Å; I71-E350 HydrophobicContact CG2-CG 4.29Å; I71-E350 WeakPolarHBondContact CG2-OE1 3.43Å
72	G	96.8	Very high	98.3	Very high	16 Å²	16	36.3 Å²	36.3	17%	0.165	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-6.3	-179.5	0	0	0	0	0	115	R70 P74 K316 E350 Y352	R70-G72 PolarHBondContact O-N 3.32Å; G72-P74 WeakPolarHBondContact O-CD 3.3Å; G72-K316 WeakPolarHBondContact O-CE 3.21Å; G72-K316 PolarHBondContact O-NZ 3.43Å; G72-E350 PolarHBondContact N-OE1 3.21Å; G72-Y352 PolarHBondContact N-OH 2.86Å
73	I	98.4	Very high	98.3	Very high	31 Å²	31	36.4 Å²	36.4	16%	0.159	17%	0.165	C	C	.	.			trans	-91.1	111.3	168.2	-59.5	-170.9	0	0	0	107.1	F65 H69 R70 I71 R118 Y352	F65-I73 HydrophobicContact CD2-CD1 4.03Å; F65-I73 HydrophobicContact CE2-CD1 4.34Å; H69-I73 PolarHBondContact CE1-O 3.02Å; R70-I73 HydrophobicContact CB-CB 4.31Å; R70-I73 HydrophobicContact CB-CD1 3.87Å; R70-I73 HydrophobicContact CB-CG1 4.1Å; R70-I73 HydrophobicContact CG-CD1 4.39Å; R70-I73 WeakPolarHBondContact O-CB 3.37Å; R70-I73 PolarHBondContact O-N 3.45Å; I71-I73 VanDerWaalsContact C-N 3.25Å; I71-I73 PolarHBondContact O-N 3.44Å; I73-R118 HydrophobicContact CG2-CB 4.22Å; I73-Y352 PolarHBondContact O-OH 3.03Å
74	P	98.6	Very high	98.3	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	16%	0.164	C	C	.	.			trans	-70.6	148.1	-179	30.8	-35.8	0	0	0	111.7	G72 S116 R118 V184 V311 Y352	G72-P74 WeakPolarHBondContact O-CD 3.3Å; P74-S116 WeakPolarHBondContact CD-O 3.43Å; P74-R118 PolarHBondContact O-N 3.32Å; P74-R118 VanDerWaalsContact O-N 3.1Å; P74-V184 HydrophobicContact CB-CB 4.36Å; P74-V184 HydrophobicContact CB-CG2 3.92Å; P74-V311 HydrophobicContact CB-CG2 3.67Å; P74-V311 HydrophobicContact CG-CB 4.49Å; P74-V311 HydrophobicContact CG-CG1 3.84Å; P74-V311 HydrophobicContact CG-CG2 3.94Å; P74-Y352 HydrophobicContact CB-CD1 4.16Å; P74-Y352 HydrophobicContact CB-CE1 3.82Å
75	E	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.2	173.6	-53.8	-69.2	158.1	0	0	109	H69 R118 H120 E181 T182 F183 V184	H69-E75 WeakPolarHBondContact CA-OE1 3.34Å; H69-E75 WeakPolarHBondContact CB-OE1 3.42Å; H69-E75 IonicContact CE1-OE1 2.97Å; H69-E75 IonicContact CG-OE1 2.76Å; H69-E75 IonicContact ND1-OE1 2.77Å; H69-E75 PolarHBondContact ND1-OE1 2.72Å; E75-R118 IonicContact OE1-NH1 3.56Å; E75-R118 PolarHBondContact OE1-NH1 3.47Å; E75-R118 WeakPolarHBondContact OE2-CB 3.34Å; E75-R118 WeakPolarHBondContact OE2-CD 3.47Å; E75-R118 VanDerWaalsContact OE2-CG 3.27Å; E75-R118 WeakPolarHBondContact OE2-CG 3.35Å; E75-R118 IonicContact OE2-CZ 3.8Å; E75-R118 IonicContact OE2-NE 3.52Å; E75-R118 IonicContact OE2-NH1 3.8Å; E75-R118 PolarHBondContact OE2-NH1 3.28Å; E75-H120 IonicContact OE2-CD2 2.88Å; E75-H120 IonicContact OE2-CE1 3.78Å; E75-H120 IonicContact OE2-NE2 3.78Å; E75-H120 PolarHBondContact OE2-NE2 2.93Å; E75-E181 HydrophobicContact CG-CB 4.26Å; E75-T182 WeakPolarHBondContact CB-O 3.23Å; E75-F183 HydrophobicContact CB-CD1 3.9Å; E75-F183 HydrophobicContact CB-CE1 4.32Å; E75-V184 PolarHBondContact O-N 3.27Å
76	F	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.8	175.4	174.1	-82.8	0	0	0	109.4	Y78 T117 R118 I119 H120 L185 Y307 I308 V311	F76-Y78 HydrophobicContact CE1-CD1 4.09Å; F76-Y78 AromaticContact CE1-CD2 3.47Å; F76-Y78 HydrophobicContact CE1-CD2 3.47Å; F76-Y78 VanDerWaalsContact CE1-CD2 3.47Å; F76-Y78 HydrophobicContact CE1-CE1 4.28Å; F76-Y78 AromaticContact CE1-CE2 3.68Å; F76-Y78 HydrophobicContact CE1-CE2 3.68Å; F76-Y78 AromaticContact CE1-CG 3.68Å; F76-Y78 HydrophobicContact CE1-CG 3.68Å; F76-Y78 AromaticContact CZ-CD1 3.89Å; F76-Y78 HydrophobicContact CZ-CD1 3.89Å; F76-Y78 AromaticContact CZ-CD2 3.86Å; F76-Y78 HydrophobicContact CZ-CD2 3.86Å; F76-Y78 AromaticContact CZ-CE1 3.7Å; F76-Y78 HydrophobicContact CZ-CE1 3.7Å; F76-Y78 AromaticContact CZ-CE2 3.66Å; F76-Y78 HydrophobicContact CZ-CE2 3.66Å; F76-Y78 AromaticContact CZ-CG 3.96Å; F76-Y78 HydrophobicContact CZ-CG 3.96Å; F76-Y78 AromaticContact CZ-CZ 3.58Å; F76-T117 HydrophobicContact CB-CG2 3.8Å; F76-R118 PolarHBondContact N-O 2.94Å; F76-I119 HydrophobicContact CD1-CG2 3.88Å; F76-I119 HydrophobicContact CE1-CG2 4.47Å; F76-H120 PolarHBondContact O-CD2 3.35Å; F76-H120 PolarHBondContact O-N 2.79Å; F76-L185 WeakPolarHBondContact CA-O 3.47Å; F76-L185 HydrophobicContact CD2-CB 3.94Å; F76-L185 HydrophobicContact CD2-CD2 4.07Å; F76-L185 HydrophobicContact CD2-CG 4.02Å; F76-L185 WeakPolarHBondContact CD2-O 3.45Å; F76-L185 HydrophobicContact CE2-CB 4.3Å; F76-L185 HydrophobicContact CE2-CD2 3.92Å; F76-L185 HydrophobicContact CE2-CG 3.88Å; F76-Y307 AromaticContact CE2-CD1 3.81Å; F76-Y307 HydrophobicContact CE2-CD1 3.81Å; F76-Y307 AromaticContact CE2-CE1 3.88Å; F76-Y307 HydrophobicContact CE2-CE1 3.88Å; F76-Y307 AromaticContact CZ-CD1 3.92Å; F76-Y307 HydrophobicContact CZ-CD1 3.92Å; F76-Y307 HydrophobicContact CZ-CE1 4.16Å; F76-I308 HydrophobicContact CD1-CG1 4.05Å; F76-I308 HydrophobicContact CD1-CG2 4.21Å; F76-I308 HydrophobicContact CD2-CB 4.5Å; F76-I308 HydrophobicContact CD2-CG2 4.29Å; F76-I308 HydrophobicContact CE1-CD1 4.47Å; F76-I308 HydrophobicContact CE1-CG1 3.62Å; F76-I308 HydrophobicContact CE2-CB 4.37Å; F76-I308 HydrophobicContact CE2-CG1 4.13Å; F76-I308 HydrophobicContact CG-CG2 4.08Å; F76-I308 HydrophobicContact CZ-CB 4.4Å; F76-I308 HydrophobicContact CZ-CG1 3.67Å; F76-V311 HydrophobicContact CB-CG2 4.29Å; F76-V311 HydrophobicContact CD2-CB 4.28Å
77	K	98.9	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	146.8	170.3	74.7	-169.1	-148.5	-67.7	0	115.9	H120 W177 L178 F183 L185 S186 A187 N269 E277	K77-H120 CarbonylContact C-O 3.5Å; K77-H120 WeakPolarHBondContact CA-O 3.24Å; K77-H120 HydrophobicContact CB-CB 4.03Å; K77-W177 HydrophobicContact CB-CH2 3.84Å; K77-W177 HydrophobicContact CB-CZ2 4.28Å; K77-W177 HydrophobicContact CD-CH2 3.65Å; K77-W177 HydrophobicContact CD-CZ2 4.29Å; K77-W177 HydrophobicContact CD-CZ3 3.82Å; K77-W177 HydrophobicContact CG-CH2 4.19Å; K77-L178 HydrophobicContact CD-CD2 4.02Å; K77-L178 VanDerWaalsContact CE-CD2 3.46Å; K77-F183 HydrophobicContact CB-CD1 3.86Å; K77-F183 HydrophobicContact CB-CE1 3.73Å; K77-F183 HydrophobicContact CD-CB 4.34Å; K77-F183 HydrophobicContact CD-CD1 3.67Å; K77-F183 HydrophobicContact CD-CD2 3.99Å; K77-F183 HydrophobicContact CD-CE1 3.88Å; K77-F183 HydrophobicContact CD-CE2 4.17Å; K77-F183 HydrophobicContact CD-CG 3.73Å; K77-F183 HydrophobicContact CD-CZ 4.13Å; K77-F183 HydrophobicContact CG-CD1 4.02Å; K77-F183 HydrophobicContact CG-CE1 4.28Å; K77-F183 HydrophobicContact CG-CG 4.48Å; K77-L185 PolarHBondContact N-O 2.98Å; K77-S186 WeakPolarHBondContact CE-OG 3.19Å; K77-S186 VanDerWaalsContact CG-OG 3.22Å; K77-S186 WeakPolarHBondContact CG-OG 3.49Å; K77-S186 PolarHBondContact NZ-OG 3.19Å; K77-S186 WeakPolarHBondContact O-CA 3.13Å; K77-S186 PolarHBondContact O-OG 2.9Å; K77-A187 PolarHBondContact O-N 3.07Å; K77-N269 PolarHBondContact NZ-OD1 3.38Å; K77-E277 IonicContact NZ-OE2 3.87Å; K77-E277 PolarHBondContact NZ-OE2 2.87Å
78	Y	99	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.5	161.8	-84.6	-48.4	0	0	0	110.3	F76 L93 L96 H120 M122 A187 L189 L280 L304 Y307 I308	F76-Y78 HydrophobicContact CE1-CD1 4.09Å; F76-Y78 AromaticContact CE1-CD2 3.47Å; F76-Y78 HydrophobicContact CE1-CD2 3.47Å; F76-Y78 VanDerWaalsContact CE1-CD2 3.47Å; F76-Y78 HydrophobicContact CE1-CE1 4.28Å; F76-Y78 AromaticContact CE1-CE2 3.68Å; F76-Y78 HydrophobicContact CE1-CE2 3.68Å; F76-Y78 AromaticContact CE1-CG 3.68Å; F76-Y78 HydrophobicContact CE1-CG 3.68Å; F76-Y78 AromaticContact CZ-CD1 3.89Å; F76-Y78 HydrophobicContact CZ-CD1 3.89Å; F76-Y78 AromaticContact CZ-CD2 3.86Å; F76-Y78 HydrophobicContact CZ-CD2 3.86Å; F76-Y78 AromaticContact CZ-CE1 3.7Å; F76-Y78 HydrophobicContact CZ-CE1 3.7Å; F76-Y78 AromaticContact CZ-CE2 3.66Å; F76-Y78 HydrophobicContact CZ-CE2 3.66Å; F76-Y78 AromaticContact CZ-CG 3.96Å; F76-Y78 HydrophobicContact CZ-CG 3.96Å; F76-Y78 AromaticContact CZ-CZ 3.58Å; Y78-L93 HydrophobicContact CD2-CD2 3.85Å; Y78-L93 HydrophobicContact CG-CD2 3.86Å; Y78-L96 HydrophobicContact CD2-CD2 3.73Å; Y78-L96 HydrophobicContact CE2-CD2 3.87Å; Y78-H120 PolarHBondContact N-O 2.88Å; Y78-M122 PolarHBondContact O-N 2.81Å; Y78-A187 WeakPolarHBondContact CA-O 3.49Å; Y78-A187 HydrophobicContact CD1-CB 3.82Å; Y78-A187 HydrophobicContact CE1-CB 3.56Å; Y78-L189 HydrophobicContact CD1-CD1 3.49Å; Y78-L189 VanDerWaalsContact CD1-CD1 3.49Å; Y78-L189 HydrophobicContact CE1-CD1 4.04Å; Y78-L189 HydrophobicContact CG-CD1 4.16Å; Y78-L280 HydrophobicContact CE1-CD1 4.16Å; Y78-L304 HydrophobicContact CD2-CD2 4.35Å; Y78-L304 HydrophobicContact CE1-CD2 4.24Å; Y78-L304 HydrophobicContact CE2-CB 4.35Å; Y78-L304 HydrophobicContact CE2-CD2 3.67Å; Y78-L304 WeakPolarHBondContact OH-CA 3.46Å; Y78-L304 PolarHBondContact OH-O 2.83Å; Y78-Y307 AromaticContact CE1-CD1 3.91Å; Y78-Y307 HydrophobicContact CE1-CD1 3.91Å; Y78-Y307 HydrophobicContact CE1-CE1 4.3Å; Y78-Y307 AromaticContact CZ-CD1 3.87Å; Y78-Y307 WeakPolarHBondContact OH-CB 3.4Å; Y78-Y307 VanDerWaalsContact OH-CD1 3.25Å; Y78-Y307 WeakPolarHBondContact OH-CD1 3.42Å; Y78-I308 HydrophobicContact CD2-CG1 4.46Å; Y78-I308 HydrophobicContact CE2-CD1 3.92Å; Y78-I308 HydrophobicContact CE2-CG1 3.7Å
79	V	99	Very high	98.6	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.2	172.8	-177.4	0	0	0	0	108.5	M122 M125 W177 A187 N188 L189 M265	V79-M122 HydrophobicContact CG1-CB 4.46Å; V79-M122 HydrophobicContact CG1-CG 4.28Å; V79-M122 HydrophobicContact CG1-SD 3.92Å; V79-M122 HydrophobicContact CG2-CB 4.35Å; V79-M125 HydrophobicContact CG1-CB 3.9Å; V79-M125 HydrophobicContact CG1-SD 4.18Å; V79-W177 HydrophobicContact CG2-CH2 4.16Å; V79-W177 HydrophobicContact CG2-CZ3 3.77Å; V79-A187 PolarHBondContact N-O 2.93Å; V79-N188 HydrophobicContact CB-CB 4.47Å; V79-N188 CarbonylContact O-C 3.59Å; V79-N188 WeakPolarHBondContact O-CA 3.44Å; V79-L189 WeakPolarHBondContact O-CD1 3.46Å; V79-L189 PolarHBondContact O-N 3.04Å; V79-M265 HydrophobicContact CB-CE 4.06Å; V79-M265 HydrophobicContact CG1-CE 3.93Å; V79-M265 HydrophobicContact CG2-CE 4.47Å
80	A	98.9	Very high	98.7	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.008	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	167	176.1	0	0	0	0	0	112.3	M82 G89 L93 M122 S124 M125 L189	A80-M82 PolarHBondContact O-N 2.87Å; A80-G89 VanDerWaalsContact CB-C 3.44Å; A80-G89 WeakPolarHBondContact CB-O 3.45Å; A80-L93 HydrophobicContact CB-CD1 3.46Å; A80-L93 VanDerWaalsContact CB-CD1 3.46Å; A80-L93 HydrophobicContact CB-CG 4.06Å; A80-M122 PolarHBondContact N-O 2.87Å; A80-S124 WeakPolarHBondContact O-CA 2.99Å; A80-M125 PolarHBondContact O-N 3.17Å; A80-L189 HydrophobicContact CB-CB 3.84Å; A80-L189 HydrophobicContact CB-CD2 4.42Å
81	N	98.9	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.042	C	C	.	.			trans	56.4	41.5	167.4	-172.7	-126.8	0	0	0	111.5	H83 G84 E86 R90 S124 N126 L189	N81-H83 VanDerWaalsContact C-N 3.27Å; N81-H83 CarbonylContact C-O 3.52Å; N81-H83 PolarHBondContact ND2-O 3.45Å; N81-G84 PolarHBondContact ND2-O 3.01Å; N81-E86 PolarHBondContact ND2-O 2.7Å; N81-E86 VanDerWaalsContact ND2-O 3.12Å; N81-R90 HydrophobicContact CB-CB 3.91Å; N81-R90 PolarHBondContact OD1-NH1 3.32Å; N81-S124 PolarHBondContact OD1-OG 3.41Å; N81-N126 WeakPolarHBondContact O-CB 3.44Å; N81-N126 PolarHBondContact O-N 2.8Å; N81-L189 PolarHBondContact N-O 3.01Å
82	M	98.9	Very high	98.7	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.01	2%	0.021	C	C	.	.	S	Bend	trans	-72.1	-27.1	167.8	77.1	-178.4	-49.6	0	0	111.4	A80 M125 N126 L152 N153 F156 H190 M265	A80-M82 PolarHBondContact O-N 2.87Å; M82-M125 HydrophobicContact CB-CB 4.01Å; M82-M125 HydrophobicContact CB-CG 4.21Å; M82-M125 HydrophobicContact CB-SD 3.72Å; M82-M125 HydrophobicContact CE-CE 4.33Å; M82-M125 HydrophobicContact CE-SD 3.97Å; M82-N126 WeakPolarHBondContact O-CB 3.49Å; M82-N126 PolarHBondContact O-ND2 3.49Å; M82-L152 HydrophobicContact CE-CB 4.09Å; M82-N153 HydrophobicContact CE-CB 3.61Å; M82-N153 HydrophobicContact SD-CB 3.71Å; M82-F156 HydrophobicContact CE-CE2 4.37Å; M82-H190 VanDerWaalsContact CG-CE1 3.45Å; M82-H190 WeakPolarHBondContact CG-CE1 2.98Å; M82-H190 PolarHBondContact SD-CE1 3.36Å; M82-H190 PolarHBondContact SD-NE2 3.48Å; M82-M265 HydrophobicContact CE-CB 4.06Å; M82-M265 HydrophobicContact CE-CE 4.15Å; M82-M265 HydrophobicContact CE-SD 4.28Å; M82-M265 HydrophobicContact SD-CE 4.11Å
83	H	98.9	Very high	98.8	Very high	3 Å²	3	2.5 Å²	2.5	1%	0.014	1%	0.013	C	C	.	.	S	Bend	trans	-95.1	122.5	156.1	-58.8	134.7	0	0	0	108.6	N81 D85 E86 R144 D151 H190	N81-H83 VanDerWaalsContact C-N 3.27Å; N81-H83 CarbonylContact C-O 3.52Å; N81-H83 PolarHBondContact ND2-O 3.45Å; H83-D85 VanDerWaalsContact C-N 3.26Å; H83-D85 PolarHBondContact O-N 2.91Å; H83-E86 HydrophobicContact CB-CB 4.13Å; H83-E86 VanDerWaalsContact CB-CD 3.41Å; H83-E86 HydrophobicContact CB-CG 3.75Å; H83-E86 WeakPolarHBondContact CB-OE1 2.92Å; H83-E86 IonicContact CE1-OE1 3.74Å; H83-E86 IonicContact CG-OE1 3.7Å; H83-E86 IonicContact CG-OE2 3.35Å; H83-E86 IonicContact ND1-OE1 3.01Å; H83-E86 PolarHBondContact ND1-OE1 3.44Å; H83-E86 IonicContact ND1-OE2 3.96Å; H83-E86 PolarHBondContact ND1-OE2 3.38Å; H83-E86 VanDerWaalsContact ND1-OE2 3.16Å; H83-E86 PolarHBondContact O-N 3.1Å; H83-R144 VanDerWaalsContact CA-O 3.26Å; H83-R144 WeakPolarHBondContact CA-O 3.44Å; H83-R144 HydrophobicContact CB-CG 3.94Å; H83-R144 PolarHBondContact CE1-NH1 2.7Å; H83-R144 PolarHBondContact CE1-NH2 2.92Å; H83-R144 PolarHBondContact ND1-NH1 3.43Å; H83-R144 VanDerWaalsContact ND1-NH1 3.12Å; H83-R144 PolarHBondContact NE2-NH2 3.11Å; H83-R144 VanDerWaalsContact NE2-NH2 3.17Å; H83-D151 IonicContact CD2-OD1 3.95Å; H83-D151 IonicContact NE2-OD1 2.74Å; H83-D151 PolarHBondContact NE2-OD1 2.93Å; H83-D151 IonicContact NE2-OD2 3.61Å; H83-D151 PolarHBondContact NE2-OD2 3.2Å; H83-H190 AromaticContact CE1-CE1 3.36Å; H83-H190 PolarHBondContact CE1-CE1 2.86Å; H83-H190 AromaticContact CE1-ND1 3.64Å; H83-H190 AromaticContact ND1-CE1 3.36Å; H83-H190 PolarHBondContact ND1-CE1 2.88Å; H83-H190 AromaticContact ND1-ND1 3.3Å; H83-H190 PolarHBondContact ND1-ND1 3.43Å
84	G	98.7	Very high	98.9	Very high	0 Å²	0	1 Å²	1	0%	0	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-27.1	-169.3	0	0	0	0	0	113.9	N81 F130 G143 R144	N81-G84 PolarHBondContact ND2-O 3.01Å; G84-F130 VanDerWaalsContact CA-N 3.35Å; G84-F130 WeakPolarHBondContact O-CA 3.45Å; G84-F130 WeakPolarHBondContact O-CD2 3.26Å; G84-G143 CarbonylContact C-O 3.57Å; G84-G143 WeakPolarHBondContact CA-O 3.3Å; G84-G143 PolarHBondContact N-O 3.36Å; G84-R144 PolarHBondContact N-O 3Å
85	D	98.6	Very high	98.9	Very high	3 Å²	3	1.4 Å²	1.4	2%	0.016	1%	0.007	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-1.1	178.6	67.2	-14	0	0	0	115.1	H83 T87 V133 S141 G143 R144 K286	H83-D85 VanDerWaalsContact C-N 3.26Å; H83-D85 PolarHBondContact O-N 2.91Å; D85-T87 PolarHBondContact O-N 3.27Å; D85-V133 HydrophobicContact CB-CG2 3.91Å; D85-S141 WeakPolarHBondContact CB-OG 3.26Å; D85-S141 PolarHBondContact OD2-OG 3.03Å; D85-G143 PolarHBondContact N-O 3.04Å; D85-R144 WeakPolarHBondContact OD1-CA 3.33Å; D85-K286 CarbonylContact O-C 3.5Å; D85-K286 WeakPolarHBondContact O-CB 3.47Å; D85-K286 VanDerWaalsContact O-O 3.05Å
86	E	98.8	Very high	98.9	Very high	4 Å²	4	1.4 Å²	1.4	2%	0.019	1%	0.007	C	C	.	.			trans	-95.1	84	175.1	-64.2	177.6	-161.6	0	0	108.7	N81 H83 R144 H190 G191 K286	N81-E86 PolarHBondContact ND2-O 2.7Å; N81-E86 VanDerWaalsContact ND2-O 3.12Å; H83-E86 HydrophobicContact CB-CB 4.13Å; H83-E86 VanDerWaalsContact CB-CD 3.41Å; H83-E86 HydrophobicContact CB-CG 3.75Å; H83-E86 WeakPolarHBondContact CB-OE1 2.92Å; H83-E86 IonicContact CE1-OE1 3.74Å; H83-E86 IonicContact CG-OE1 3.7Å; H83-E86 IonicContact CG-OE2 3.35Å; H83-E86 IonicContact ND1-OE1 3.01Å; H83-E86 PolarHBondContact ND1-OE1 3.44Å; H83-E86 IonicContact ND1-OE2 3.96Å; H83-E86 PolarHBondContact ND1-OE2 3.38Å; H83-E86 VanDerWaalsContact ND1-OE2 3.16Å; H83-E86 PolarHBondContact O-N 3.1Å; E86-R144 IonicContact OE1-CZ 2.71Å; E86-R144 IonicContact OE1-NH1 3.36Å; E86-R144 PolarHBondContact OE1-NH1 2.97Å; E86-H190 WeakPolarHBondContact OE2-CA 3.32Å; E86-H190 WeakPolarHBondContact OE2-CB 3.28Å; E86-H190 IonicContact OE2-CE1 2.77Å; E86-H190 IonicContact OE2-CG 2.81Å; E86-H190 IonicContact OE2-ND1 3.07Å; E86-H190 PolarHBondContact OE2-ND1 2.86Å; E86-G191 WeakPolarHBondContact CG-O 3.41Å; E86-G191 PolarHBondContact OE2-N 2.85Å; E86-K286 HydrophobicContact CG-CB 4.31Å; E86-K286 HydrophobicContact CG-CD 4.21Å; E86-K286 HydrophobicContact CG-CG 4.13Å
87	T	98.8	Very high	98.9	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.007	C	C	.	.			trans	-95.1	-18.8	-158	63.3	0	0	0	0	114.8	Y22 D85 G89 R90 E91 F130 K286 Y287	Y22-T87 HydrophobicContact CE1-CG2 4.42Å; Y22-T87 WeakPolarHBondContact CE1-OG1 3.36Å; Y22-T87 PolarHBondContact OH-OG1 2.82Å; D85-T87 PolarHBondContact O-N 3.27Å; T87-G89 VanDerWaalsContact C-N 3.33Å; T87-G89 PolarHBondContact O-N 3.47Å; T87-R90 WeakPolarHBondContact O-CB 3.15Å; T87-R90 PolarHBondContact O-N 3.29Å; T87-R90 VanDerWaalsContact O-N 3.17Å; T87-E91 PolarHBondContact O-N 3.16Å; T87-F130 HydrophobicContact CG2-CD2 3.78Å; T87-F130 HydrophobicContact CG2-CE2 3.66Å; T87-K286 PolarHBondContact N-O 2.98Å; T87-K286 PolarHBondContact OG1-O 2.91Å; T87-Y287 HydrophobicContact CG2-CD1 3.82Å; T87-Y287 HydrophobicContact CG2-CD2 3.41Å; T87-Y287 VanDerWaalsContact CG2-CD2 3.41Å; T87-Y287 HydrophobicContact CG2-CE1 3.9Å; T87-Y287 HydrophobicContact CG2-CE2 3.5Å; T87-Y287 HydrophobicContact CG2-CG 3.57Å; T87-Y287 WeakPolarHBondContact OG1-CD1 3.32Å
88	V	98.9	Very high	98.9	Very high	1 Å²	1	2.2 Å²	2.2	1%	0.006	1%	0.012	C	C	.	.	H	α-helix	trans	-60.4	-42.8	-178.4	174.4	0	0	0	0	111.6	R90 E91 L92 L282 S283 P288 F296	V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3Å; V88-E91 PolarHBondContact O-N 3.3Å; V88-L92 HydrophobicContact CG1-CD1 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.01Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.41Å; V88-L92 PolarHBondContact O-N 2.91Å; V88-L282 HydrophobicContact CG1-CB 4.08Å; V88-S283 WeakPolarHBondContact CG2-OG 3.45Å; V88-P288 HydrophobicContact CG2-CG 3.51Å; V88-F296 HydrophobicContact CG1-CB 3.91Å; V88-F296 HydrophobicContact CG1-CD1 3.8Å; V88-F296 HydrophobicContact CG1-CD2 4.39Å; V88-F296 HydrophobicContact CG1-CE1 4.43Å; V88-F296 HydrophobicContact CG1-CG 3.78Å; V88-F296 HydrophobicContact CG2-CD1 4.31Å; V88-F296 HydrophobicContact CG2-CD2 4.04Å; V88-F296 HydrophobicContact CG2-CE1 4.26Å; V88-F296 HydrophobicContact CG2-CE2 4Å; V88-F296 HydrophobicContact CG2-CG 4.21Å; V88-F296 HydrophobicContact CG2-CZ 4.1Å
89	G	98.9	Very high	98.9	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.3	-38	177.7	0	0	0	0	0	113.2	A80 T87 L92 L93	A80-G89 VanDerWaalsContact CB-C 3.44Å; A80-G89 WeakPolarHBondContact CB-O 3.45Å; T87-G89 VanDerWaalsContact C-N 3.33Å; T87-G89 PolarHBondContact O-N 3.47Å; G89-L92 PolarHBondContact O-N 2.95Å; G89-L93 WeakPolarHBondContact O-CG 3.35Å; G89-L93 PolarHBondContact O-N 3.5Å; G89-L93 VanDerWaalsContact O-N 3.08Å
90	R	98.9	Very high	98.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-56.8	-56	177.5	-178.6	-170.8	-177.7	102.9	-1.9	110.9	H23 M28 N81 T87 V88 L93 L94 P123 S124	H23-R90 VanDerWaalsContact O-CZ 3.25Å; H23-R90 PolarHBondContact O-NE 2.85Å; H23-R90 PolarHBondContact O-NH2 2.86Å; M28-R90 PolarHBondContact SD-NH2 2.98Å; N81-R90 HydrophobicContact CB-CB 3.91Å; N81-R90 PolarHBondContact OD1-NH1 3.32Å; T87-R90 WeakPolarHBondContact O-CB 3.15Å; T87-R90 PolarHBondContact O-N 3.29Å; T87-R90 VanDerWaalsContact O-N 3.17Å; V88-R90 VanDerWaalsContact C-N 3.3Å; V88-R90 PolarHBondContact O-N 3Å; R90-L93 PolarHBondContact O-N 3.32Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.49Å; R90-P123 WeakPolarHBondContact CA-O 3.3Å; R90-S124 VanDerWaalsContact NH1-CB 3.33Å; R90-S124 PolarHBondContact NH1-OG 3.45Å; R90-S124 VanDerWaalsContact NH1-OG 3.12Å
91	E	98.9	Very high	98.8	Very high	2 Å²	2	4.6 Å²	4.6	1%	0.009	2%	0.021	C	C	.	.	H	α-helix	trans	-69.1	-38.8	-176.2	-57.4	-52.2	146.1	0	0	111.6	Y22 H23 T87 V88 L93 L94 H95 L293	Y22-E91 HydrophobicContact CD1-CG 3.73Å; Y22-E91 WeakPolarHBondContact CD1-OE1 3.32Å; Y22-E91 HydrophobicContact CE1-CG 3.83Å; H23-E91 IonicContact CE1-OE2 3.49Å; H23-E91 IonicContact CG-OE2 2.79Å; H23-E91 PolarHBondContact N-OE1 2.89Å; H23-E91 IonicContact ND1-OE2 3.03Å; H23-E91 PolarHBondContact ND1-OE2 3.17Å; T87-E91 PolarHBondContact O-N 3.16Å; V88-E91 PolarHBondContact O-N 3.3Å; E91-L93 VanDerWaalsContact C-N 3.26Å; E91-L93 PolarHBondContact O-N 2.87Å; E91-L94 PolarHBondContact O-N 3.09Å; E91-L94 VanDerWaalsContact O-N 3.15Å; E91-H95 PolarHBondContact O-CD2 3.01Å; E91-H95 PolarHBondContact O-N 3.22Å; E91-L293 HydrophobicContact CB-CD2 4.04Å; E91-L293 HydrophobicContact CG-CD1 4.24Å; E91-L293 HydrophobicContact CG-CD2 3.98Å
92	L	98.9	Very high	98.8	Very high	4 Å²	4	6.2 Å²	6.2	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-58.7	-38.1	175.4	-73.4	179.3	0	0	0	112.7	V88 G89 L96 L282 F296 W297 N300 L304	V88-L92 HydrophobicContact CG1-CD1 3.64Å; V88-L92 HydrophobicContact CG1-CG 4.01Å; V88-L92 WeakPolarHBondContact O-CB 3.31Å; V88-L92 WeakPolarHBondContact O-CG 3.41Å; V88-L92 PolarHBondContact O-N 2.91Å; G89-L92 PolarHBondContact O-N 2.95Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.09Å; L92-L282 HydrophobicContact CD1-CD1 3.46Å; L92-L282 VanDerWaalsContact CD1-CD1 3.46Å; L92-F296 HydrophobicContact CD2-CB 4.39Å; L92-W297 VanDerWaalsContact CD2-CA 3.43Å; L92-W297 HydrophobicContact CD2-CB 4.13Å; L92-W297 HydrophobicContact CD2-CE3 3.99Å; L92-N300 HydrophobicContact CD1-CB 3.89Å; L92-N300 HydrophobicContact CD2-CB 4.19Å; L92-L304 HydrophobicContact CB-CD1 4.36Å
93	L	98.9	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-72.6	-31.8	177.6	-70	-167.5	0	0	0	112.9	Y78 A80 G89 R90 E91 L96 I97 I121 M122 P123 L189	Y78-L93 HydrophobicContact CD2-CD2 3.85Å; Y78-L93 HydrophobicContact CG-CD2 3.86Å; A80-L93 HydrophobicContact CB-CD1 3.46Å; A80-L93 VanDerWaalsContact CB-CD1 3.46Å; A80-L93 HydrophobicContact CB-CG 4.06Å; G89-L93 WeakPolarHBondContact O-CG 3.35Å; G89-L93 PolarHBondContact O-N 3.5Å; G89-L93 VanDerWaalsContact O-N 3.08Å; R90-L93 PolarHBondContact O-N 3.32Å; E91-L93 VanDerWaalsContact C-N 3.26Å; E91-L93 PolarHBondContact O-N 2.87Å; L93-L96 HydrophobicContact CD2-CD2 4.05Å; L93-L96 PolarHBondContact O-N 2.85Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.83Å; L93-I121 HydrophobicContact CB-CG2 3.65Å; L93-I121 HydrophobicContact CD1-CG2 3.92Å; L93-I121 HydrophobicContact CD2-CG2 4.14Å; L93-I121 HydrophobicContact CG-CG2 4.09Å; L93-M122 WeakPolarHBondContact CD1-O 3.26Å; L93-P123 HydrophobicContact CB-CB 4.39Å; L93-L189 HydrophobicContact CD1-CD2 4.4Å; L93-L189 HydrophobicContact CD2-CD2 3.79Å; L93-L189 HydrophobicContact CG-CD2 3.93Å
94	L	98.9	Very high	98.7	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-68.3	-45	172.5	-60.5	175.3	0	0	0	111.5	L18 H23 M28 F31 L32 R90 E91 L96 I97 D98 P123	L18-L94 HydrophobicContact CD2-CB 3.61Å; H23-L94 HydrophobicContact CB-CD1 3.64Å; M28-L94 HydrophobicContact CG-CD1 4.05Å; M28-L94 HydrophobicContact CG-CD2 3.83Å; F31-L94 HydrophobicContact CD1-CB 4.41Å; F31-L94 HydrophobicContact CD1-CD2 3.78Å; F31-L94 HydrophobicContact CE1-CB 4.04Å; F31-L94 HydrophobicContact CE1-CD2 3.91Å; F31-L94 WeakPolarHBondContact CZ-O 3.4Å; L32-L94 HydrophobicContact CD2-CD2 4.09Å; L32-L94 HydrophobicContact CG-CD2 4.4Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.49Å; E91-L94 PolarHBondContact O-N 3.09Å; E91-L94 VanDerWaalsContact O-N 3.15Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.09Å; L94-I97 WeakPolarHBondContact O-CB 3.34Å; L94-I97 PolarHBondContact O-N 2.94Å; L94-D98 PolarHBondContact O-N 3Å; L94-P123 HydrophobicContact CD2-CB 3.75Å; L94-P123 HydrophobicContact CD2-CG 3.57Å; L94-P123 HydrophobicContact CG-CB 4.15Å; L94-P123 HydrophobicContact CG-CG 4.41Å
95	H	98.9	Very high	98.6	Very high	8 Å²	8	11.7 Å²	11.7	4%	0.037	8%	0.077	C	C	.	.	H	α-helix	trans	-67.3	-31.2	174.7	-73.7	-71.7	0	0	0	112.9	L18 D19 F20 E91 D98 Y99 W297	L18-H95 PolarHBondContact O-CE1 3.47Å; D19-H95 PolarHBondContact O-CE1 3.37Å; F20-H95 AromaticContact CD1-CD2 3.91Å; F20-H95 AromaticContact CD1-CE1 3.44Å; F20-H95 VanDerWaalsContact CD1-CE1 3.44Å; F20-H95 WeakPolarHBondContact CD1-CE1 3.42Å; F20-H95 AromaticContact CD1-NE2 3.17Å; F20-H95 WeakPolarHBondContact CD1-NE2 3.43Å; F20-H95 AromaticContact CE1-CD2 3.61Å; F20-H95 AromaticContact CE1-CE1 3.36Å; F20-H95 WeakPolarHBondContact CE1-CE1 3.35Å; F20-H95 AromaticContact CE1-CG 3.83Å; F20-H95 AromaticContact CE1-ND1 3.67Å; F20-H95 AromaticContact CE1-NE2 3.29Å; F20-H95 VanDerWaalsContact CE1-NE2 3.29Å; F20-H95 WeakPolarHBondContact CE1-NE2 3.26Å; F20-H95 AromaticContact CE2-CE1 3.97Å; F20-H95 AromaticContact CG-CE1 3.79Å; F20-H95 AromaticContact CG-NE2 3.85Å; F20-H95 AromaticContact CZ-CE1 3.63Å; F20-H95 AromaticContact CZ-ND1 3.71Å; E91-H95 PolarHBondContact O-CD2 3.01Å; E91-H95 PolarHBondContact O-N 3.22Å; H95-D98 PolarHBondContact O-N 2.96Å; H95-Y99 VanDerWaalsContact O-CB 3.26Å; H95-Y99 WeakPolarHBondContact O-CB 3.35Å; H95-Y99 PolarHBondContact O-N 3.43Å; H95-W297 HydrophobicContact CB-CD2 3.95Å; H95-W297 HydrophobicContact CB-CE3 3.68Å; H95-W297 HydrophobicContact CB-CH2 4.38Å; H95-W297 HydrophobicContact CB-CZ3 3.92Å
96	L	98.9	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.2	-42.9	171.5	178.5	63.7	0	0	0	111.4	Y78 L92 L93 L94 Y99 L100 I121 W297 L304 I305 I308	Y78-L96 HydrophobicContact CD2-CD2 3.73Å; Y78-L96 HydrophobicContact CE2-CD2 3.87Å; L92-L96 VanDerWaalsContact O-CB 3.24Å; L92-L96 WeakPolarHBondContact O-CB 3.43Å; L92-L96 PolarHBondContact O-N 3.09Å; L93-L96 HydrophobicContact CD2-CD2 4.05Å; L93-L96 PolarHBondContact O-N 2.85Å; L94-L96 VanDerWaalsContact C-N 3.32Å; L94-L96 PolarHBondContact O-N 3.09Å; L96-Y99 PolarHBondContact O-N 2.79Å; L96-L100 HydrophobicContact CD1-CD1 4.15Å; L96-L100 HydrophobicContact CD1-CG 4.08Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.37Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 VanDerWaalsContact O-CG 3.24Å; L96-L100 WeakPolarHBondContact O-CG 3.1Å; L96-L100 PolarHBondContact O-N 2.99Å; L96-I121 HydrophobicContact CD2-CD1 4.04Å; L96-I121 HydrophobicContact CG-CD1 4.18Å; L96-W297 HydrophobicContact CB-CH2 4.43Å; L96-W297 HydrophobicContact CB-CZ3 4.15Å; L96-L304 HydrophobicContact CD1-CB 4.39Å; L96-L304 HydrophobicContact CD2-CB 4.42Å; L96-I305 HydrophobicContact CD1-CD1 3.67Å; L96-I308 HydrophobicContact CD2-CD1 4.26Å
97	I	98.9	Very high	98.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57.5	-52.9	174.6	-72.9	164.4	0	0	0	109.9	F31 L32 V35 L60 L93 L94 Y99 L100 V101 I121 P123	F31-I97 HydrophobicContact CE1-CB 4.16Å; F31-I97 HydrophobicContact CE1-CG2 3.93Å; F31-I97 HydrophobicContact CZ-CB 4.25Å; F31-I97 HydrophobicContact CZ-CG2 3.92Å; L32-I97 HydrophobicContact CD2-CD1 3.58Å; V35-I97 HydrophobicContact CB-CG2 4.42Å; V35-I97 HydrophobicContact CG1-CG2 3.81Å; V35-I97 HydrophobicContact CG2-CG2 4.23Å; L60-I97 HydrophobicContact CB-CD1 4.04Å; L60-I97 HydrophobicContact CD1-CG2 4.18Å; L60-I97 HydrophobicContact CD2-CD1 4.44Å; L60-I97 HydrophobicContact CD2-CG1 4.27Å; L60-I97 HydrophobicContact CD2-CG2 3.96Å; L93-I97 VanDerWaalsContact O-CG1 3.3Å; L93-I97 WeakPolarHBondContact O-CG1 3.27Å; L93-I97 PolarHBondContact O-N 2.83Å; L94-I97 WeakPolarHBondContact O-CB 3.34Å; L94-I97 PolarHBondContact O-N 2.94Å; I97-Y99 VanDerWaalsContact C-N 3.33Å; I97-Y99 PolarHBondContact O-N 3.11Å; I97-L100 PolarHBondContact O-N 2.87Å; I97-V101 WeakPolarHBondContact O-CG2 3.44Å; I97-V101 PolarHBondContact O-N 2.89Å; I97-V101 VanDerWaalsContact O-N 3.12Å; I97-I121 HydrophobicContact CD1-CB 4.11Å; I97-I121 HydrophobicContact CD1-CG2 3.8Å; I97-I121 HydrophobicContact CG1-CB 4.11Å; I97-I121 HydrophobicContact CG1-CD1 3.63Å; I97-I121 HydrophobicContact CG1-CG1 4.44Å; I97-I121 HydrophobicContact CG1-CG2 3.95Å; I97-P123 HydrophobicContact CD1-CG 4.27Å
98	D	98.7	Very high	98.5	Very high	18 Å²	18	25.8 Å²	25.8	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-46.7	179.1	-174.5	61.5	0	0	0	111.5	L18 F31 L94 H95 L100 V101 T102	L18-D98 HydrophobicContact CB-CB 4.34Å; F31-D98 HydrophobicContact CE2-CB 4.26Å; F31-D98 HydrophobicContact CZ-CB 4.03Å; L94-D98 PolarHBondContact O-N 3Å; H95-D98 PolarHBondContact O-N 2.96Å; D98-L100 PolarHBondContact O-N 3.03Å; D98-V101 WeakPolarHBondContact O-CG2 3.19Å; D98-V101 PolarHBondContact O-N 2.83Å; D98-T102 VanDerWaalsContact O-CB 3.32Å; D98-T102 WeakPolarHBondContact O-CB 3.46Å; D98-T102 VanDerWaalsContact O-CG2 3.24Å; D98-T102 WeakPolarHBondContact O-CG2 3.43Å; D98-T102 PolarHBondContact O-N 3.31Å; D98-T102 PolarHBondContact O-OG1 2.95Å
99	Y	98.8	Very high	98.3	Very high	49 Å²	49	29.8 Å²	29.8	19%	0.192	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-45.5	178.6	-179.7	-104	0	0	0	112.7	H95 L96 I97 T102 S103 I110 W297 K301 I305	H95-Y99 VanDerWaalsContact O-CB 3.26Å; H95-Y99 WeakPolarHBondContact O-CB 3.35Å; H95-Y99 PolarHBondContact O-N 3.43Å; L96-Y99 PolarHBondContact O-N 2.79Å; I97-Y99 VanDerWaalsContact C-N 3.33Å; I97-Y99 PolarHBondContact O-N 3.11Å; Y99-T102 PolarHBondContact O-OG1 3.38Å; Y99-S103 WeakPolarHBondContact O-CB 3.38Å; Y99-S103 PolarHBondContact O-N 3.47Å; Y99-S103 PolarHBondContact O-OG 3.3Å; Y99-I110 HydrophobicContact CE1-CD1 3.7Å; Y99-I110 HydrophobicContact CE1-CG1 3.89Å; Y99-W297 HydrophobicContact CD1-CH2 4.46Å; Y99-W297 HydrophobicContact CD2-CZ2 4.11Å; Y99-W297 HydrophobicContact CG-CH2 4.07Å; Y99-W297 AromaticContact CG-CZ2 3.88Å; Y99-W297 HydrophobicContact CG-CZ2 3.88Å; Y99-K301 HydrophobicContact CD2-CD 4.22Å; Y99-K301 HydrophobicContact CE2-CD 4.01Å; Y99-I305 HydrophobicContact CD1-CD1 4.17Å; Y99-I305 HydrophobicContact CE1-CD1 4.08Å; Y99-I305 HydrophobicContact CE1-CG1 4.13Å
100	L	98.8	Very high	98.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-49.2	-179.4	-71.6	170.5	0	0	0	111.1	V62 L96 I97 D98 D104 I110 I114 I119 I121 I305	V62-L100 HydrophobicContact CG1-CB 4.31Å; V62-L100 HydrophobicContact CG2-CD1 4.42Å; L96-L100 HydrophobicContact CD1-CD1 4.15Å; L96-L100 HydrophobicContact CD1-CG 4.08Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.37Å; L96-L100 WeakPolarHBondContact O-CB 3.49Å; L96-L100 VanDerWaalsContact O-CG 3.24Å; L96-L100 WeakPolarHBondContact O-CG 3.1Å; L96-L100 PolarHBondContact O-N 2.99Å; I97-L100 PolarHBondContact O-N 2.87Å; D98-L100 PolarHBondContact O-N 3.03Å; L100-D104 PolarHBondContact O-N 3.23Å; L100-D104 VanDerWaalsContact O-N 3.14Å; L100-I110 HydrophobicContact CD2-CG2 3.88Å; L100-I114 HydrophobicContact CB-CD1 4.23Å; L100-I114 HydrophobicContact CD2-CD1 4.49Å; L100-I114 HydrophobicContact CD2-CG1 4.45Å; L100-I114 WeakPolarHBondContact O-CD1 3.29Å; L100-I119 HydrophobicContact CD1-CD1 4.27Å; L100-I121 HydrophobicContact CD1-CD1 3.93Å; L100-I305 HydrophobicContact CD2-CD1 3.93Å
101	V	98.6	Very high	98.3	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-72.7	-32	-175.5	-57.3	0	0	0	0	112.9	V35 Y39 I42 T43 I97 D98	V35-V101 HydrophobicContact CG1-CG1 3.94Å; V35-V101 HydrophobicContact CG1-CG2 4.17Å; Y39-V101 HydrophobicContact CD1-CB 3.8Å; Y39-V101 HydrophobicContact CD1-CG2 4.34Å; Y39-V101 HydrophobicContact CD2-CB 3.91Å; Y39-V101 HydrophobicContact CD2-CG2 3.73Å; Y39-V101 HydrophobicContact CE1-CB 4.08Å; Y39-V101 HydrophobicContact CE1-CG2 4.27Å; Y39-V101 VanDerWaalsContact CE1-O 3.26Å; Y39-V101 WeakPolarHBondContact CE1-O 3.45Å; Y39-V101 HydrophobicContact CE2-CB 4.19Å; Y39-V101 HydrophobicContact CE2-CG2 3.66Å; Y39-V101 HydrophobicContact CG-CB 3.7Å; Y39-V101 HydrophobicContact CG-CG1 4.28Å; Y39-V101 HydrophobicContact CG-CG2 4.07Å; I42-V101 HydrophobicContact CD1-CG1 4.48Å; T43-V101 HydrophobicContact CG2-CG1 3.67Å; I97-V101 WeakPolarHBondContact O-CG2 3.44Å; I97-V101 PolarHBondContact O-N 2.89Å; I97-V101 VanDerWaalsContact O-N 3.12Å; D98-V101 WeakPolarHBondContact O-CG2 3.19Å; D98-V101 PolarHBondContact O-N 2.83Å
102	T	97.9	Very high	98.3	Very high	33 Å²	33	35.1 Å²	35.1	20%	0.202	20%	0.2	C	C	.	.	H	α-helix	trans	-82.6	-20.7	179.8	58.5	0	0	0	0	113.6	D98 Y99 K106	D98-T102 VanDerWaalsContact O-CB 3.32Å; D98-T102 WeakPolarHBondContact O-CB 3.46Å; D98-T102 VanDerWaalsContact O-CG2 3.24Å; D98-T102 WeakPolarHBondContact O-CG2 3.43Å; D98-T102 PolarHBondContact O-N 3.31Å; D98-T102 PolarHBondContact O-OG1 2.95Å; Y99-T102 PolarHBondContact O-OG1 3.38Å; T102-K106 WeakPolarHBondContact O-CD 3.37Å; T102-K106 PolarHBondContact O-NZ 2.7Å
103	S	98.1	Very high	98.2	Very high	14 Å²	14	34.9 Å²	34.9	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-90.2	-21.8	176.9	-56.5	0	0	0	0	113.3	Y99 G105 K106 D107	Y99-S103 WeakPolarHBondContact O-CB 3.38Å; Y99-S103 PolarHBondContact O-N 3.47Å; Y99-S103 PolarHBondContact O-OG 3.3Å; S103-G105 PolarHBondContact O-N 3.16Å; S103-K106 PolarHBondContact O-N 3.01Å; S103-D107 PolarHBondContact O-N 3.29Å
104	D	97.7	Very high	98.2	Very high	40 Å²	40	34.9 Å²	34.9	21%	0.214	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	131.3	175.3	-171.3	43.2	0	0	0	111.2	I42 L100 K106 I114	I42-D104 HydrophobicContact CD1-CB 3.86Å; I42-D104 WeakPolarHBondContact CD1-OD2 3.22Å; L100-D104 PolarHBondContact O-N 3.23Å; L100-D104 VanDerWaalsContact O-N 3.14Å; D104-K106 PolarHBondContact O-N 2.88Å; D104-I114 HydrophobicContact CB-CD1 3.86Å
105	G	97.4	Very high	98.2	Very high	67 Å²	67	37.5 Å²	37.5	69%	0.691	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-6.2	-174.1	0	0	0	0	0	115.7	S103 T111	S103-G105 PolarHBondContact O-N 3.16Å; G105-T111 PolarHBondContact N-OG1 3.05Å
106	K	97.8	Very high	98.2	Very high	166 Å²	166	38.1 Å²	38.1	72%	0.722	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.9	-47.8	178	-60.4	178	-167.9	153.7	0	112.6	T102 S103 D104	T102-K106 WeakPolarHBondContact O-CD 3.37Å; T102-K106 PolarHBondContact O-NZ 2.7Å; S103-K106 PolarHBondContact O-N 3.01Å; D104-K106 PolarHBondContact O-N 2.88Å
107	D	97.8	Very high	98.2	Very high	49 Å²	49	38.2 Å²	38.2	26%	0.262	22%	0.219	S	C	.	.	S	Bend	trans	-95.2	114	174.7	-176.3	-41.1	0	0	0	108.4	S103 D109 I110 T111	S103-D107 PolarHBondContact O-N 3.29Å; D107-D109 VanDerWaalsContact C-N 3.3Å; D107-D109 PolarHBondContact O-N 3.21Å; D107-D109 WeakPolarHBondContact OD1-CB 3.28Å; D107-D109 PolarHBondContact OD1-N 2.88Å; D107-I110 HydrophobicContact CB-CB 4.06Å; D107-I110 HydrophobicContact CB-CG1 4.02Å; D107-I110 PolarHBondContact O-N 3.35Å; D107-I110 PolarHBondContact OD1-N 2.91Å; D107-I110 VanDerWaalsContact OD1-N 3.12Å; D107-T111 WeakPolarHBondContact O-CB 3.33Å; D107-T111 PolarHBondContact O-N 2.88Å; D107-T111 PolarHBondContact O-OG1 3.12Å
108	P	97.1	Very high	98.2	Very high	88 Å²	88	38.6 Å²	38.6	57%	0.571	22%	0.22	S	C	*	.	H	α-helix	trans	-65.4	-31.8	-176.4	26.3	-33.9	0	0	0	112.8	N112	P108-N112 VanDerWaalsContact O-CB 3.26Å; P108-N112 WeakPolarHBondContact O-CB 3.37Å; P108-N112 PolarHBondContact O-N 3.41Å; P108-N112 PolarHBondContact O-ND2 3.45Å; P108-N112 VanDerWaalsContact O-ND2 3.1Å
109	D	96.6	Very high	98.2	Very high	84 Å²	84	37.7 Å²	37.7	45%	0.449	22%	0.216	S	C	.	.	H	α-helix	trans	-71.2	-43.1	178.7	-77.6	-10.5	0	0	0	110.5	D107 N112 L113 F385	D107-D109 VanDerWaalsContact C-N 3.3Å; D107-D109 PolarHBondContact O-N 3.21Å; D107-D109 WeakPolarHBondContact OD1-CB 3.28Å; D107-D109 PolarHBondContact OD1-N 2.88Å; D109-N112 PolarHBondContact O-N 3.39Å; D109-L113 WeakPolarHBondContact O-CB 3.41Å; D109-L113 PolarHBondContact O-N 2.88Å; D109-F385 WeakPolarHBondContact O-CE2 3.28Å
110	I	98.4	Very high	98.2	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	21%	0.207	C	C	.	.	H	α-helix	trans	-67.2	-42.1	176.2	-59.5	-58.1	0	0	0	111.3	Y99 L100 D107 N112 L113 I114 I305	Y99-I110 HydrophobicContact CE1-CD1 3.7Å; Y99-I110 HydrophobicContact CE1-CG1 3.89Å; L100-I110 HydrophobicContact CD2-CG2 3.88Å; D107-I110 HydrophobicContact CB-CB 4.06Å; D107-I110 HydrophobicContact CB-CG1 4.02Å; D107-I110 PolarHBondContact O-N 3.35Å; D107-I110 PolarHBondContact OD1-N 2.91Å; D107-I110 VanDerWaalsContact OD1-N 3.12Å; I110-N112 VanDerWaalsContact C-N 3.31Å; I110-N112 PolarHBondContact O-N 2.91Å; I110-L113 WeakPolarHBondContact O-CB 3.3Å; I110-L113 PolarHBondContact O-N 3.38Å; I110-L113 VanDerWaalsContact O-N 3.14Å; I110-I114 HydrophobicContact CG2-CD1 3.79Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CG1 3.21Å; I110-I114 PolarHBondContact O-N 2.99Å; I110-I305 HydrophobicContact CD1-CD1 3.84Å; I110-I305 HydrophobicContact CD1-CG1 4.18Å; I110-I305 HydrophobicContact CD1-CG2 3.84Å
111	T	98.4	Very high	98.2	Very high	27 Å²	27	35.4 Å²	35.4	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-58	-45.6	175	-57.1	0	0	0	0	110.8	G105 D107 L113 I114 N115	G105-T111 PolarHBondContact N-OG1 3.05Å; D107-T111 WeakPolarHBondContact O-CB 3.33Å; D107-T111 PolarHBondContact O-N 2.88Å; D107-T111 PolarHBondContact O-OG1 3.12Å; T111-L113 VanDerWaalsContact C-N 3.34Å; T111-L113 PolarHBondContact O-N 3.13Å; T111-I114 PolarHBondContact O-N 3.35Å; T111-N115 WeakPolarHBondContact O-CB 3.39Å; T111-N115 PolarHBondContact O-N 2.97Å; T111-N115 PolarHBondContact O-ND2 2.81Å; T111-N115 VanDerWaalsContact O-ND2 3.12Å
112	N	98	Very high	98.2	Very high	84 Å²	84	35.3 Å²	35.3	45%	0.449	21%	0.206	S	C	.	.	H	α-helix	trans	-62.8	-40.7	176.7	-74.8	-24.7	0	0	0	111.8	P108 D109 I110 N115 S116 F385	P108-N112 VanDerWaalsContact O-CB 3.26Å; P108-N112 WeakPolarHBondContact O-CB 3.37Å; P108-N112 PolarHBondContact O-N 3.41Å; P108-N112 PolarHBondContact O-ND2 3.45Å; P108-N112 VanDerWaalsContact O-ND2 3.1Å; D109-N112 PolarHBondContact O-N 3.39Å; I110-N112 VanDerWaalsContact C-N 3.31Å; I110-N112 PolarHBondContact O-N 2.91Å; N112-N115 PolarHBondContact O-N 3.43Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 3.47Å; N112-S116 PolarHBondContact O-OG 3.04Å; N112-F385 HydrophobicContact CB-CD2 3.8Å; N112-F385 HydrophobicContact CB-CE2 3.94Å
113	L	98.6	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.4	-43.6	178.2	-175.2	63.1	0	0	0	112.3	D109 I110 T111 N115 S116 T117 I119 I305 I308 K309 F385	D109-L113 WeakPolarHBondContact O-CB 3.41Å; D109-L113 PolarHBondContact O-N 2.88Å; I110-L113 WeakPolarHBondContact O-CB 3.3Å; I110-L113 PolarHBondContact O-N 3.38Å; I110-L113 VanDerWaalsContact O-N 3.14Å; T111-L113 VanDerWaalsContact C-N 3.34Å; T111-L113 PolarHBondContact O-N 3.13Å; L113-N115 VanDerWaalsContact C-N 3.28Å; L113-N115 PolarHBondContact O-N 3.46Å; L113-S116 PolarHBondContact O-N 2.84Å; L113-S116 PolarHBondContact O-OG 3.23Å; L113-T117 WeakPolarHBondContact O-CB 3.45Å; L113-T117 PolarHBondContact O-N 3.18Å; L113-T117 PolarHBondContact O-OG1 2.96Å; L113-I119 HydrophobicContact CG-CD1 4.37Å; L113-I305 HydrophobicContact CD2-CG2 4.3Å; L113-I308 HydrophobicContact CD1-CG2 3.99Å; L113-I308 HydrophobicContact CD2-CB 4.24Å; L113-I308 HydrophobicContact CD2-CG2 4.01Å; L113-I308 HydrophobicContact CG-CG2 4.23Å; L113-K309 HydrophobicContact CD1-CG 3.94Å; L113-K309 HydrophobicContact CD2-CG 4.38Å; L113-F385 HydrophobicContact CB-CD2 4.17Å; L113-F385 HydrophobicContact CB-CE2 4.15Å; L113-F385 HydrophobicContact CD1-CD2 4.41Å
114	I	98.6	Very high	98.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-33.6	175.9	-66.9	169.8	0	0	0	110.9	V62 G63 R64 L100 D104 I110 T111	V62-I114 HydrophobicContact CG1-CD1 4.15Å; V62-I114 HydrophobicContact CG1-CG1 4.09Å; V62-I114 HydrophobicContact CG1-CG2 4.19Å; G63-I114 WeakPolarHBondContact CA-O 3.44Å; R64-I114 PolarHBondContact N-O 2.04Å; L100-I114 HydrophobicContact CB-CD1 4.23Å; L100-I114 HydrophobicContact CD2-CD1 4.49Å; L100-I114 HydrophobicContact CD2-CG1 4.45Å; L100-I114 WeakPolarHBondContact O-CD1 3.29Å; D104-I114 HydrophobicContact CB-CD1 3.86Å; I110-I114 HydrophobicContact CG2-CD1 3.79Å; I110-I114 HydrophobicContact CG2-CG1 4.35Å; I110-I114 WeakPolarHBondContact O-CG1 3.21Å; I110-I114 PolarHBondContact O-N 2.99Å; T111-I114 PolarHBondContact O-N 3.35Å
115	N	98.4	Very high	98.4	Very high	55 Å²	55	31.3 Å²	31.3	29%	0.294	18%	0.183	S	C	.	.	H	α-helix	trans	-72.7	-31.7	176.4	-74	-30.9	0	0	0	113.4	R64 T111 N112 L113	R64-N115 WeakPolarHBondContact CD-OD1 3.45Å; T111-N115 WeakPolarHBondContact O-CB 3.39Å; T111-N115 PolarHBondContact O-N 2.97Å; T111-N115 PolarHBondContact O-ND2 2.81Å; T111-N115 VanDerWaalsContact O-ND2 3.12Å; N112-N115 PolarHBondContact O-N 3.43Å; L113-N115 VanDerWaalsContact C-N 3.28Å; L113-N115 PolarHBondContact O-N 3.46Å
116	S	98.5	Very high	98.5	Very high	21 Å²	21	28.1 Å²	28.1	15%	0.147	15%	0.15	C	C	.	.	H	α-helix	trans	-96.3	-11.6	-174.4	64.8	0	0	0	0	114.9	P74 N112 L113 H312 F385	P74-S116 WeakPolarHBondContact CD-O 3.43Å; N112-S116 WeakPolarHBondContact O-CB 3.49Å; N112-S116 PolarHBondContact O-N 3.47Å; N112-S116 PolarHBondContact O-OG 3.04Å; L113-S116 PolarHBondContact O-N 2.84Å; L113-S116 PolarHBondContact O-OG 3.23Å; S116-H312 PolarHBondContact O-CE1 2.78Å; S116-H312 PolarHBondContact OG-NE2 3.01Å; S116-F385 WeakPolarHBondContact CB-O 3.21Å; S116-F385 WeakPolarHBondContact OG-CB 3.17Å
117	T	98.8	Very high	98.5	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	12%	0.116	C	C	.	.			trans	-138.3	145.3	-171.7	-54.6	0	0	0	0	110.9	F76 L113 I119 I308 V311 H312	F76-T117 HydrophobicContact CB-CG2 3.8Å; L113-T117 WeakPolarHBondContact O-CB 3.45Å; L113-T117 PolarHBondContact O-N 3.18Å; L113-T117 PolarHBondContact O-OG1 2.96Å; T117-I119 HydrophobicContact CG2-CG1 3.68Å; T117-I308 HydrophobicContact CG2-CG2 4.38Å; T117-V311 HydrophobicContact CG2-CG1 3.87Å; T117-H312 PolarHBondContact OG1-CE1 3.21Å; T117-H312 PolarHBondContact OG1-NE2 2.73Å
118	R	98.9	Very high	98.6	Very high	8 Å²	8	18.3 Å²	18.3	3%	0.03	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.2	167.5	-171.4	164	172.5	-100	1.9	109	V61 P66 I73 P74 E75 F76 H120 E181	V61-R118 HydrophobicContact CG1-CG 3.52Å; P66-R118 PolarHBondContact O-NE 3.48Å; P66-R118 PolarHBondContact O-NH2 3.14Å; I73-R118 HydrophobicContact CG2-CB 4.22Å; P74-R118 PolarHBondContact O-N 3.32Å; P74-R118 VanDerWaalsContact O-N 3.1Å; E75-R118 IonicContact OE1-NH1 3.56Å; E75-R118 PolarHBondContact OE1-NH1 3.47Å; E75-R118 WeakPolarHBondContact OE2-CB 3.34Å; E75-R118 WeakPolarHBondContact OE2-CD 3.47Å; E75-R118 VanDerWaalsContact OE2-CG 3.27Å; E75-R118 WeakPolarHBondContact OE2-CG 3.35Å; E75-R118 IonicContact OE2-CZ 3.8Å; E75-R118 IonicContact OE2-NE 3.52Å; E75-R118 IonicContact OE2-NH1 3.8Å; E75-R118 PolarHBondContact OE2-NH1 3.28Å; F76-R118 PolarHBondContact N-O 2.94Å; R118-H120 PolarHBondContact NH1-CE1 3.45Å; R118-H120 PolarHBondContact NH1-NE2 3.39Å; R118-H120 VanDerWaalsContact NH1-NE2 3.17Å; R118-H120 PolarHBondContact O-CD2 2.85Å; R118-E181 IonicContact CZ-OE1 2.7Å; R118-E181 VanDerWaalsContact NH1-CD 3.27Å; R118-E181 IonicContact NH1-OE1 3.78Å; R118-E181 PolarHBondContact NH1-OE1 3.1Å; R118-E181 IonicContact NH1-OE2 2.98Å; R118-E181 IonicContact NH2-OE1 3.69Å
119	I	98.9	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.3	-168	-54.2	169.7	0	0	0	108.7	V61 V62 F76 L100 L113 T117 I121 I308	V61-I119 CarbonylContact C-O 3.28Å; V61-I119 VanDerWaalsContact CA-O 3.28Å; V61-I119 WeakPolarHBondContact CA-O 3.45Å; V62-I119 HydrophobicContact CB-CB 4.49Å; V62-I119 PolarHBondContact N-O 2.82Å; V62-I119 PolarHBondContact O-N 2.92Å; F76-I119 HydrophobicContact CD1-CG2 3.88Å; F76-I119 HydrophobicContact CE1-CG2 4.47Å; L100-I119 HydrophobicContact CD1-CD1 4.27Å; L113-I119 HydrophobicContact CG-CD1 4.37Å; T117-I119 HydrophobicContact CG2-CG1 3.68Å; I119-I121 HydrophobicContact CG2-CD1 4.08Å; I119-I121 HydrophobicContact CG2-CG1 3.94Å; I119-I308 HydrophobicContact CD1-CD1 4.49Å; I119-I308 HydrophobicContact CD1-CG2 3.97Å; I119-I308 HydrophobicContact CG1-CG2 4.07Å; I119-I308 HydrophobicContact CG2-CD1 4.39Å
120	H	98.9	Very high	98.7	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.005	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.3	178.1	-61.6	-119.7	0	0	0	110.5	V59 V61 E75 F76 K77 Y78 R118 W177 F183	V59-H120 HydrophobicContact CG1-CB 3.9Å; V61-H120 WeakPolarHBondContact CG2-ND1 3.38Å; E75-H120 IonicContact OE2-CD2 2.88Å; E75-H120 IonicContact OE2-CE1 3.78Å; E75-H120 IonicContact OE2-NE2 3.78Å; E75-H120 PolarHBondContact OE2-NE2 2.93Å; F76-H120 PolarHBondContact O-CD2 3.35Å; F76-H120 PolarHBondContact O-N 2.79Å; K77-H120 CarbonylContact C-O 3.5Å; K77-H120 WeakPolarHBondContact CA-O 3.24Å; K77-H120 HydrophobicContact CB-CB 4.03Å; Y78-H120 PolarHBondContact N-O 2.88Å; R118-H120 PolarHBondContact NH1-CE1 3.45Å; R118-H120 PolarHBondContact NH1-NE2 3.39Å; R118-H120 VanDerWaalsContact NH1-NE2 3.17Å; R118-H120 PolarHBondContact O-CD2 2.85Å; H120-W177 HydrophobicContact CB-CH2 4.49Å; H120-W177 HydrophobicContact CB-CZ2 3.84Å; H120-F183 HydrophobicContact CB-CE1 4.09Å; H120-F183 AromaticContact CD2-CE1 3.6Å; H120-F183 AromaticContact CG-CE1 3.69Å; H120-F183 AromaticContact ND1-CZ 3.98Å; H120-F183 AromaticContact NE2-CE1 3.88Å
121	I	99	Very high	98.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	117.7	-175.6	-57.3	176.8	0	0	0	109	V59 L60 L93 L96 I97 L100 I119 P123	V59-I121 WeakPolarHBondContact CA-O 3.49Å; L60-I121 PolarHBondContact N-O 2.85Å; L60-I121 PolarHBondContact O-N 2.91Å; L93-I121 HydrophobicContact CB-CG2 3.65Å; L93-I121 HydrophobicContact CD1-CG2 3.92Å; L93-I121 HydrophobicContact CD2-CG2 4.14Å; L93-I121 HydrophobicContact CG-CG2 4.09Å; L96-I121 HydrophobicContact CD2-CD1 4.04Å; L96-I121 HydrophobicContact CG-CD1 4.18Å; I97-I121 HydrophobicContact CD1-CB 4.11Å; I97-I121 HydrophobicContact CD1-CG2 3.8Å; I97-I121 HydrophobicContact CG1-CB 4.11Å; I97-I121 HydrophobicContact CG1-CD1 3.63Å; I97-I121 HydrophobicContact CG1-CG1 4.44Å; I97-I121 HydrophobicContact CG1-CG2 3.95Å; L100-I121 HydrophobicContact CD1-CD1 3.93Å; I119-I121 HydrophobicContact CG2-CD1 4.08Å; I119-I121 HydrophobicContact CG2-CG1 3.94Å; I121-P123 WeakPolarHBondContact O-CD 2.89Å
122	M	98.9	Very high	98.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	98.8	172.2	175.1	171.9	-73.8	0	0	109.6	I48 L57 V59 Y78 V79 A80 L93 S124 M125 V174 W177	I48-M122 HydrophobicContact CD1-CE 3.29Å; I48-M122 HydrophobicContact CG1-CE 3.63Å; L57-M122 HydrophobicContact CB-CE 4.26Å; V59-M122 HydrophobicContact CG2-CB 4.2Å; V59-M122 HydrophobicContact CG2-CE 3.44Å; V59-M122 VanDerWaalsContact CG2-CE 3.44Å; Y78-M122 PolarHBondContact O-N 2.81Å; V79-M122 HydrophobicContact CG1-CB 4.46Å; V79-M122 HydrophobicContact CG1-CG 4.28Å; V79-M122 HydrophobicContact CG1-SD 3.92Å; V79-M122 HydrophobicContact CG2-CB 4.35Å; A80-M122 PolarHBondContact N-O 2.87Å; L93-M122 WeakPolarHBondContact CD1-O 3.26Å; M122-S124 VanDerWaalsContact C-N 3.3Å; M122-S124 PolarHBondContact O-N 3Å; M122-M125 HydrophobicContact SD-CB 3.84Å; M122-M125 HydrophobicContact SD-CG 4.31Å; M122-V174 HydrophobicContact SD-CG2 4.48Å; M122-W177 HydrophobicContact CE-CZ3 4.49Å
123	P	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.049	C	C	.	.	S	Bend	trans	-66.7	-29.2	-177.8	-22.1	34.2	0	0	0	113.9	M28 L32 R90 L93 L94 I97 I121	M28-P123 HydrophobicContact SD-CB 4.04Å; L32-P123 HydrophobicContact CD1-CG 4.43Å; L32-P123 HydrophobicContact CD2-CG 4.33Å; R90-P123 WeakPolarHBondContact CA-O 3.3Å; L93-P123 HydrophobicContact CB-CB 4.39Å; L94-P123 HydrophobicContact CD2-CB 3.75Å; L94-P123 HydrophobicContact CD2-CG 3.57Å; L94-P123 HydrophobicContact CG-CB 4.15Å; L94-P123 HydrophobicContact CG-CG 4.41Å; I97-P123 HydrophobicContact CD1-CG 4.27Å; I121-P123 WeakPolarHBondContact O-CD 2.89Å
124	S	98.9	Very high	98.5	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.028	8%	0.082	C	C	.	.			trans	-148.4	110.5	-178.8	-172.8	0	0	0	0	112.3	A80 N81 R90 M122 P127	A80-S124 WeakPolarHBondContact O-CA 2.99Å; N81-S124 PolarHBondContact OD1-OG 3.41Å; R90-S124 VanDerWaalsContact NH1-CB 3.33Å; R90-S124 PolarHBondContact NH1-OG 3.45Å; R90-S124 VanDerWaalsContact NH1-OG 3.12Å; M122-S124 VanDerWaalsContact C-N 3.3Å; M122-S124 PolarHBondContact O-N 3Å; S124-P127 WeakPolarHBondContact OG-CA 3.26Å
125	M	98.9	Very high	98.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-80.3	-29	170.8	179.4	-179.2	173.4	0	0	112.1	L57 V79 A80 M82 M122 P127 L152 F156 E170 V174 M265	L57-M125 VanDerWaalsContact CD2-O 3.3Å; L57-M125 WeakPolarHBondContact CD2-O 3.27Å; V79-M125 HydrophobicContact CG1-CB 3.9Å; V79-M125 HydrophobicContact CG1-SD 4.18Å; A80-M125 PolarHBondContact O-N 3.17Å; M82-M125 HydrophobicContact CB-CB 4.01Å; M82-M125 HydrophobicContact CB-CG 4.21Å; M82-M125 HydrophobicContact CB-SD 3.72Å; M82-M125 HydrophobicContact CE-CE 4.33Å; M82-M125 HydrophobicContact CE-SD 3.97Å; M122-M125 HydrophobicContact SD-CB 3.84Å; M122-M125 HydrophobicContact SD-CG 4.31Å; M125-P127 WeakPolarHBondContact O-CD 3.46Å; M125-L152 HydrophobicContact CE-CB 4.4Å; M125-L152 HydrophobicContact CE-CD1 4.2Å; M125-L152 HydrophobicContact CG-CD1 4.32Å; M125-F156 HydrophobicContact CE-CE2 4.05Å; M125-F156 HydrophobicContact CE-CZ 3.94Å; M125-E170 HydrophobicContact CE-CB 4.34Å; M125-E170 WeakPolarHBondContact O-CG 3.34Å; M125-V174 HydrophobicContact CE-CB 4.17Å; M125-V174 HydrophobicContact CE-CG2 3.67Å; M125-V174 HydrophobicContact CG-CG2 4.15Å; M125-V174 HydrophobicContact SD-CG2 3.9Å; M125-M265 HydrophobicContact CE-SD 4.34Å; M125-M265 HydrophobicContact SD-CE 4.38Å; M125-M265 HydrophobicContact SD-SD 3.87Å
126	N	98.9	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.129	C	C	.	.			trans	-120.5	69	177	-174.3	10.5	0	0	0	111.9	N81 M82 D128 G129 F130 R144 E145 N146 L152	N81-N126 WeakPolarHBondContact O-CB 3.44Å; N81-N126 PolarHBondContact O-N 2.8Å; M82-N126 WeakPolarHBondContact O-CB 3.49Å; M82-N126 PolarHBondContact O-ND2 3.49Å; N126-D128 PolarHBondContact O-N 3.48Å; N126-G129 PolarHBondContact O-N 3Å; N126-G129 PolarHBondContact OD1-N 3.44Å; N126-F130 PolarHBondContact O-N 3.49Å; N126-R144 PolarHBondContact ND2-O 3.37Å; N126-R144 VanDerWaalsContact ND2-O 3.15Å; N126-E145 PolarHBondContact ND2-O 3.38Å; N126-N146 PolarHBondContact ND2-N 2.75Å; N126-L152 HydrophobicContact CB-CD1 3.75Å
127	P	98.9	Very high	98	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.006	14%	0.139	C	C	.	.	H	α-helix	trans	-66.4	-22.5	179	28.8	-36.5	0	0	0	112.2	R55 L57 S124 M125 E131	R55-P127 HydrophobicContact CB-CB 4.25Å; R55-P127 HydrophobicContact CB-CG 3.8Å; L57-P127 HydrophobicContact CD2-CG 3.98Å; S124-P127 WeakPolarHBondContact OG-CA 3.26Å; M125-P127 WeakPolarHBondContact O-CD 3.46Å; P127-E131 VanDerWaalsContact O-CG 3.3Å; P127-E131 WeakPolarHBondContact O-CG 3.38Å; P127-E131 PolarHBondContact O-N 3.02Å; P127-E131 VanDerWaalsContact O-N 3.16Å
128	D	98.8	Very high	97.8	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	15%	0.152	C	C	.	.	H	α-helix	trans	-69.1	-44.8	177.2	-68.2	-3.8	0	0	0	112.3	S51 V52 K53 R55 N126 E131 A132	S51-D128 VanDerWaalsContact CB-CG 3.42Å; S51-D128 WeakPolarHBondContact CB-OD1 3.42Å; S51-D128 VanDerWaalsContact CB-OD2 3.25Å; S51-D128 WeakPolarHBondContact CB-OD2 3.4Å; S51-D128 PolarHBondContact OG-OD1 3.18Å; S51-D128 PolarHBondContact OG-OD2 3.11Å; V52-D128 PolarHBondContact N-OD2 3.41Å; K53-D128 WeakPolarHBondContact CB-OD1 3.42Å; K53-D128 VanDerWaalsContact CB-OD2 3.32Å; K53-D128 WeakPolarHBondContact CB-OD2 3.16Å; K53-D128 HydrophobicContact CG-CB 4.4Å; K53-D128 VanDerWaalsContact CG-OD2 3.28Å; K53-D128 WeakPolarHBondContact CG-OD2 3.43Å; K53-D128 PolarHBondContact N-OD2 2.64Å; R55-D128 WeakPolarHBondContact CD-OD1 3.27Å; R55-D128 IonicContact CZ-OD1 3.83Å; R55-D128 IonicContact NE-OD1 3.33Å; R55-D128 IonicContact NH1-OD1 3.82Å; R55-D128 PolarHBondContact NH1-OD1 2.94Å; N126-D128 PolarHBondContact O-N 3.48Å; D128-E131 PolarHBondContact O-N 3.04Å; D128-A132 PolarHBondContact O-N 3.36Å; D128-A132 VanDerWaalsContact O-N 3.13Å
129	G	98.7	Very high	97.5	Very high	2 Å²	2	35 Å²	35	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-62.2	-43.7	175.6	0	0	0	0	0	111.8	N126 E131 A132 G143	N126-G129 PolarHBondContact O-N 3Å; N126-G129 PolarHBondContact OD1-N 3.44Å; G129-E131 PolarHBondContact O-N 3.02Å; G129-A132 WeakPolarHBondContact O-CB 3.33Å; G129-A132 PolarHBondContact O-N 3.26Å; G129-A132 VanDerWaalsContact O-N 3.14Å; G129-G143 CarbonylContact C-O 3.13Å; G129-G143 VanDerWaalsContact C-O 3.28Å; G129-G143 WeakPolarHBondContact CA-O 3.28Å; G129-G143 WeakPolarHBondContact O-CA 3.25Å
130	F	98.7	Very high	97.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-50.1	177.6	177.4	-92.1	0	0	0	111.4	Y22 H24 G84 T87 N126 A132 V133 Y287	Y22-F130 HydrophobicContact CD1-CE2 4.39Å; Y22-F130 HydrophobicContact CD1-CZ 4.44Å; H24-F130 HydrophobicContact CB-CE1 4.49Å; H24-F130 AromaticContact CE1-CE1 3.79Å; H24-F130 AromaticContact CG-CE1 3.98Å; H24-F130 AromaticContact ND1-CE1 3.53Å; G84-F130 VanDerWaalsContact CA-N 3.35Å; G84-F130 WeakPolarHBondContact O-CA 3.45Å; G84-F130 WeakPolarHBondContact O-CD2 3.26Å; T87-F130 HydrophobicContact CG2-CD2 3.78Å; T87-F130 HydrophobicContact CG2-CE2 3.66Å; N126-F130 PolarHBondContact O-N 3.49Å; F130-A132 PolarHBondContact O-N 3.05Å; F130-V133 PolarHBondContact O-N 2.81Å; F130-Y287 HydrophobicContact CE2-CE2 4.45Å
131	E	98.5	Very high	96.7	Very high	25 Å²	25	46 Å²	46	12%	0.117	22%	0.223	C	C	.	.	H	α-helix	trans	-68.1	-19.3	-179.9	-67	-57.4	155	0	0	113.9	H24 Q25 R55 P127 D128 G129 V133 K134	H24-E131 WeakPolarHBondContact CA-OE1 3.49Å; H24-E131 WeakPolarHBondContact CB-OE1 3.25Å; H24-E131 IonicContact CE1-OE2 3.87Å; H24-E131 IonicContact CG-OE1 3.48Å; H24-E131 IonicContact CG-OE2 2.78Å; H24-E131 IonicContact ND1-OE1 3.37Å; H24-E131 PolarHBondContact ND1-OE1 3.01Å; H24-E131 IonicContact ND1-OE2 3.85Å; H24-E131 PolarHBondContact ND1-OE2 2.81Å; Q25-E131 PolarHBondContact N-OE1 3.12Å; R55-E131 VanDerWaalsContact NH2-CB 3.34Å; P127-E131 VanDerWaalsContact O-CG 3.3Å; P127-E131 WeakPolarHBondContact O-CG 3.38Å; P127-E131 PolarHBondContact O-N 3.02Å; P127-E131 VanDerWaalsContact O-N 3.16Å; D128-E131 PolarHBondContact O-N 3.04Å; G129-E131 PolarHBondContact O-N 3.02Å; E131-V133 VanDerWaalsContact C-N 3.34Å; E131-K134 WeakPolarHBondContact O-CE 3.42Å; E131-K134 PolarHBondContact O-NZ 2.65Å
132	A	98.1	Very high	96.3	Very high	36 Å²	36	52.6 Å²	52.6	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-73.3	-25.9	176.8	0	0	0	0	0	112.5	D128 G129 F130 K134	D128-A132 PolarHBondContact O-N 3.36Å; D128-A132 VanDerWaalsContact O-N 3.13Å; G129-A132 WeakPolarHBondContact O-CB 3.33Å; G129-A132 PolarHBondContact O-N 3.26Å; G129-A132 VanDerWaalsContact O-N 3.14Å; F130-A132 PolarHBondContact O-N 3.05Å; A132-K134 PolarHBondContact O-N 3.25Å
133	V	97.2	Very high	96.2	Very high	7 Å²	7	52.6 Å²	52.6	4%	0.042	26%	0.257	C	S	.	.			trans	-73.5	110.1	179	-172.5	0	0	0	0	110	D85 F130 E131 K135 Y287	D85-V133 HydrophobicContact CB-CG2 3.91Å; F130-V133 PolarHBondContact O-N 2.81Å; E131-V133 VanDerWaalsContact C-N 3.34Å; V133-K135 WeakPolarHBondContact CG1-O 3.34Å; V133-Y287 HydrophobicContact CB-CD2 4.27Å; V133-Y287 HydrophobicContact CB-CE2 3.91Å; V133-Y287 HydrophobicContact CG1-CD2 3.76Å; V133-Y287 HydrophobicContact CG1-CE2 3.73Å; V133-Y287 HydrophobicContact CG2-CD2 4.47Å; V133-Y287 HydrophobicContact CG2-CE2 4.42Å
134	K	94.5	Very high	96.1	Very high	157 Å²	157	54.8 Å²	54.8	68%	0.683	27%	0.265	S	S	*	.	S	Bend	trans	-98.9	-16	174.6	-57.4	-49	-175.1	-164.5	0	113.8	E131 A132	E131-K134 WeakPolarHBondContact O-CE 3.42Å; E131-K134 PolarHBondContact O-NZ 2.65Å; A132-K134 PolarHBondContact O-N 3.25Å
135	K	94.4	Very high	96.1	Very high	180 Å²	180	57.7 Å²	57.7	78%	0.783	28%	0.278	S	S	*	.	S	Bend	trans	-132.5	102.5	178.2	-66.6	-175.2	-179.2	-178.4	0	107.4	V133	V133-K135 WeakPolarHBondContact CG1-O 3.34Å
136	P	94.8	Very high	96.1	Very high	78 Å²	78	57.9 Å²	57.9	51%	0.506	28%	0.279	S	S	.	.			trans	-54.9	138.4	175.8	-28.4	37	0	0	0	111.7	Y287	P136-Y287 HydrophobicContact CB-CD1 3.68Å; P136-Y287 HydrophobicContact CB-CD2 4.19Å; P136-Y287 HydrophobicContact CB-CE1 4.04Å; P136-Y287 HydrophobicContact CB-CG 3.76Å; P136-Y287 HydrophobicContact CG-CD1 4.14Å; P136-Y287 HydrophobicContact CG-CE1 3.96Å; P136-Y287 HydrophobicContact CG-CE2 4.42Å; P136-Y287 HydrophobicContact CG-CG 4.44Å
137	D	95.8	Very high	96.1	Very high	67 Å²	67	63.7 Å²	63.7	36%	0.358	30%	0.302	S	S	.	.			trans	-146.1	152.8	177.2	-173.4	-98.8	0	0	0	110.8	Y139 Y140 Y287	D137-Y139 WeakPolarHBondContact OD1-CA 3.37Å; D137-Y139 PolarHBondContact OD1-N 2.73Å; D137-Y140 WeakPolarHBondContact CB-O 3.32Å; D137-Y140 PolarHBondContact OD1-N 2.79Å; D137-Y287 VanDerWaalsContact O-CB 3.28Å; D137-Y287 WeakPolarHBondContact O-CB 3.44Å; D137-Y287 PolarHBondContact O-N 3.17Å
138	C	95.4	Very high	96.1	Very high	41 Å²	41	67.2 Å²	67.2	28%	0.277	32%	0.32	S	S	.	.	S	Bend	trans	-79.5	-18.8	-178.2	-72.1	0	0	0	0	114.6	C285 K286	C138-C285 WeakPolarHBondContact CA-SG 3.43Å; C138-C285 HydrophobicContact CB-CB 3.67Å; C138-C285 WeakPolarHBondContact CB-SG 3.27Å; C138-C285 WeakPolarHBondContact SG-CB 3.42Å; C138-C285 CovalentContact SG-SG 2.04Å; C138-C285 PolarHBondContact SG-SG 2.99Å; C138-K286 WeakPolarHBondContact O-CG 3.43Å; C138-K286 PolarHBondContact O-N 3.35Å
139	Y	93.3	Very high	96	Very high	128 Å²	128	77.3 Å²	77.3	50%	0.502	36%	0.358	S	S	.	.	S	Bend	trans	-127.5	-49.4	-166	-57.4	-80.6	0	0	0	113	D137 K286	D137-Y139 WeakPolarHBondContact OD1-CA 3.37Å; D137-Y139 PolarHBondContact OD1-N 2.73Å; Y139-K286 PolarHBondContact O-NZ 3.26Å; Y139-K286 VanDerWaalsContact O-NZ 3.08Å
140	Y	90.3	Very high	96	Very high	198 Å²	198	81.5 Å²	81.5	78%	0.776	37%	0.374	S	S	*	.			trans	-134.9	133.8	-170.4	-56.1	-75.4	0	0	0	112.2	D137	D137-Y140 WeakPolarHBondContact CB-O 3.32Å; D137-Y140 PolarHBondContact OD1-N 2.79Å
141	S	90.2	Very high	96	Very high	34 Å²	34	83 Å²	83	24%	0.238	38%	0.382	C	S	.	.			trans	-151.3	172.3	170.3	82.9	0	0	0	0	110.6	D85 G143	D85-S141 WeakPolarHBondContact CB-OG 3.26Å; D85-S141 PolarHBondContact OD2-OG 3.03Å; S141-G143 PolarHBondContact OG-N 2.73Å
142	I	90.1	Very high	96.1	Very high	140 Å²	140	81.8 Å²	81.8	72%	0.718	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	3	171.5	61.5	170.1	0	0	0	113.2
143	G	96.3	Very high	96.1	Very high	0 Å²	0	80.3 Å²	80.3	0%	0	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	1.1	-170.8	0	0	0	0	0	114.9	G84 D85 G129 S141	G84-G143 CarbonylContact C-O 3.57Å; G84-G143 WeakPolarHBondContact CA-O 3.3Å; G84-G143 PolarHBondContact N-O 3.36Å; D85-G143 PolarHBondContact N-O 3.04Å; G129-G143 CarbonylContact C-O 3.13Å; G129-G143 VanDerWaalsContact C-O 3.28Å; G129-G143 WeakPolarHBondContact CA-O 3.28Å; G129-G143 WeakPolarHBondContact O-CA 3.25Å; S141-G143 PolarHBondContact OG-N 2.73Å
144	R	98.4	Very high	96.2	Very high	45 Å²	45	83.4 Å²	83.4	17%	0.17	37%	0.374	C	S	.	.	S	Bend	trans	-61.9	-57.7	177.2	178.7	-171.1	174.8	75	-1.4	110.6	H83 G84 D85 E86 N126 D151	H83-R144 VanDerWaalsContact CA-O 3.26Å; H83-R144 WeakPolarHBondContact CA-O 3.44Å; H83-R144 HydrophobicContact CB-CG 3.94Å; H83-R144 PolarHBondContact CE1-NH1 2.7Å; H83-R144 PolarHBondContact CE1-NH2 2.92Å; H83-R144 PolarHBondContact ND1-NH1 3.43Å; H83-R144 VanDerWaalsContact ND1-NH1 3.12Å; H83-R144 PolarHBondContact NE2-NH2 3.11Å; H83-R144 VanDerWaalsContact NE2-NH2 3.17Å; G84-R144 PolarHBondContact N-O 3Å; D85-R144 WeakPolarHBondContact OD1-CA 3.33Å; E86-R144 IonicContact OE1-CZ 2.71Å; E86-R144 IonicContact OE1-NH1 3.36Å; E86-R144 PolarHBondContact OE1-NH1 2.97Å; N126-R144 PolarHBondContact ND2-O 3.37Å; N126-R144 VanDerWaalsContact ND2-O 3.15Å; R144-D151 IonicContact CZ-OD2 3.93Å; R144-D151 IonicContact NE-OD2 3.74Å; R144-D151 PolarHBondContact NE-OD2 2.81Å; R144-D151 IonicContact NH2-OD2 2.79Å; R144-D151 PolarHBondContact NH2-OD2 2.71Å
145	E	98.6	Very high	96.4	Very high	65 Å²	65	76 Å²	76	30%	0.304	34%	0.342	S	S	.	.	S	Bend	trans	-70.2	165.5	-176.3	-61.7	78.7	-168.9	0	0	111.9	N126 Y150	N126-E145 PolarHBondContact ND2-O 3.38Å; E145-Y150 WeakPolarHBondContact CA-O 3.36Å; E145-Y150 WeakPolarHBondContact CB-O 3.44Å
146	N	98.7	Very high	96.6	Very high	5 Å²	5	67.4 Å²	67.4	3%	0.027	31%	0.305	C	S	.	.			trans	-68.1	176.5	167.1	86.9	-24	0	0	0	110.9	N126 N148 R149 Y150 L152 Q168 E170	N126-N146 PolarHBondContact ND2-N 2.75Å; N146-N148 PolarHBondContact O-N 3.31Å; N146-N148 VanDerWaalsContact O-N 3.1Å; N146-N148 PolarHBondContact OD1-N 3.19Å; N146-N148 VanDerWaalsContact OD1-N 3.12Å; N146-R149 WeakPolarHBondContact O-CA 3.21Å; N146-R149 PolarHBondContact O-N 3.36Å; N146-R149 PolarHBondContact OD1-N 3.46Å; N146-Y150 PolarHBondContact N-O 2.94Å; N146-Y150 PolarHBondContact OD1-N 3.2Å; N146-Y150 PolarHBondContact OD1-O 3.04Å; N146-L152 HydrophobicContact CB-CD1 4.31Å; N146-L152 HydrophobicContact CB-CD2 3.82Å; N146-L152 HydrophobicContact CB-CG 4.02Å; N146-Q168 WeakPolarHBondContact ND2-CB 3.35Å; N146-Q168 VanDerWaalsContact ND2-CG 3.34Å; N146-Q168 WeakPolarHBondContact ND2-CG 3.15Å; N146-Q168 PolarHBondContact ND2-OE1 2.95Å; N146-E170 PolarHBondContact ND2-OE2 2.82Å; N146-E170 VanDerWaalsContact ND2-OE2 3.11Å
147	Y	98.6	Very high	96.8	Very high	122 Å²	122	64 Å²	64	48%	0.478	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.7	-178.5	-177.7	-101.5	0	0	0	114.4	V52 K53 R149	V52-Y147 HydrophobicContact CB-CD1 4.18Å; V52-Y147 HydrophobicContact CB-CG 4.36Å; V52-Y147 HydrophobicContact CG1-CD1 3.52Å; V52-Y147 HydrophobicContact CG1-CE1 4.36Å; V52-Y147 HydrophobicContact CG1-CG 4.18Å; K53-Y147 HydrophobicContact CD-CD1 4.13Å; K53-Y147 HydrophobicContact CD-CD2 3.57Å; K53-Y147 HydrophobicContact CD-CE1 4.02Å; K53-Y147 HydrophobicContact CD-CE2 3.47Å; K53-Y147 VanDerWaalsContact CD-CE2 3.47Å; K53-Y147 HydrophobicContact CD-CG 3.89Å; K53-Y147 HydrophobicContact CG-CD1 4.41Å; K53-Y147 HydrophobicContact CG-CD2 3.63Å; K53-Y147 HydrophobicContact CG-CE2 4.08Å; K53-Y147 HydrophobicContact CG-CG 3.8Å; K53-Y147 PolarHBondContact NZ-OH 3.35Å; Y147-R149 PolarHBondContact O-N 3.28Å
148	N	98.6	Very high	96.9	Very high	74 Å²	74	61.1 Å²	61.1	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	8.5	178.5	-67.8	-26.4	0	0	0	113.3	V52 N146 Y150 Q168	V52-N148 WeakPolarHBondContact CG2-ND2 3.33Å; N146-N148 PolarHBondContact O-N 3.31Å; N146-N148 VanDerWaalsContact O-N 3.1Å; N146-N148 PolarHBondContact OD1-N 3.19Å; N146-N148 VanDerWaalsContact OD1-N 3.12Å; N148-Y150 VanDerWaalsContact C-N 3.33Å; N148-Y150 HydrophobicContact CB-CD2 3.87Å; N148-Y150 HydrophobicContact CB-CE2 4.29Å; N148-Y150 WeakPolarHBondContact O-CD2 3.2Å; N148-Y150 PolarHBondContact O-N 3.32Å; N148-Q168 PolarHBondContact ND2-OE1 3.37Å
149	R	98.1	Very high	97	Very high	220 Å²	220	59.2 Å²	59.2	83%	0.83	25%	0.254	S	S	*	.	S	Bend	trans	65.4	29.7	-179.6	-50	-178.8	-179.7	-175.5	-1	114.3	N146 Y147	N146-R149 WeakPolarHBondContact O-CA 3.21Å; N146-R149 PolarHBondContact O-N 3.36Å; N146-R149 PolarHBondContact OD1-N 3.46Å; Y147-R149 PolarHBondContact O-N 3.28Å
150	Y	98.6	Very high	97.2	Very high	89 Å²	89	53.4 Å²	53.4	35%	0.349	23%	0.232	S	C	.	.			trans	-95.7	135.9	168.2	-74.8	-92.8	0	0	0	110.4	E145 N146 N148 L152 V165 Q168	E145-Y150 WeakPolarHBondContact CA-O 3.36Å; E145-Y150 WeakPolarHBondContact CB-O 3.44Å; N146-Y150 PolarHBondContact N-O 2.94Å; N146-Y150 PolarHBondContact OD1-N 3.2Å; N146-Y150 PolarHBondContact OD1-O 3.04Å; N148-Y150 VanDerWaalsContact C-N 3.33Å; N148-Y150 HydrophobicContact CB-CD2 3.87Å; N148-Y150 HydrophobicContact CB-CE2 4.29Å; N148-Y150 WeakPolarHBondContact O-CD2 3.2Å; N148-Y150 PolarHBondContact O-N 3.32Å; Y150-L152 PolarHBondContact O-N 2.74Å; Y150-V165 HydrophobicContact CE1-CB 4.34Å; Y150-Q168 HydrophobicContact CD2-CG 4.17Å; Y150-Q168 VanDerWaalsContact CE2-NE2 3.33Å; Y150-Q168 HydrophobicContact CG-CG 3.96Å
151	D	98.8	Very high	97.6	Very high	31 Å²	31	47.9 Å²	47.9	17%	0.166	21%	0.213	C	C	.	.			trans	-71.1	114.5	165.7	-174.1	-44.7	0	0	0	108.4	H83 R144 N153 R154 N155	H83-D151 IonicContact CD2-OD1 3.95Å; H83-D151 IonicContact NE2-OD1 2.74Å; H83-D151 PolarHBondContact NE2-OD1 2.93Å; H83-D151 IonicContact NE2-OD2 3.61Å; H83-D151 PolarHBondContact NE2-OD2 3.2Å; R144-D151 IonicContact CZ-OD2 3.93Å; R144-D151 IonicContact NE-OD2 3.74Å; R144-D151 PolarHBondContact NE-OD2 2.81Å; R144-D151 IonicContact NH2-OD2 2.79Å; R144-D151 PolarHBondContact NH2-OD2 2.71Å; D151-N153 PolarHBondContact O-N 2.84Å; D151-N153 WeakPolarHBondContact OD1-CA 3.17Å; D151-N153 PolarHBondContact OD1-N 2.84Å; D151-R154 HydrophobicContact CB-CB 4.14Å; D151-R154 HydrophobicContact CB-CG 3.97Å; D151-R154 PolarHBondContact O-N 2.94Å; D151-R154 PolarHBondContact OD1-N 3.48Å; D151-N155 PolarHBondContact O-N 2.76Å
152	L	98.9	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-65.8	-26.6	-177.9	-65.9	-175.5	0	0	0	112.3	M82 M125 N126 N146 Y150 R154 N155 F156 Q168 E170	M82-L152 HydrophobicContact CE-CB 4.09Å; M125-L152 HydrophobicContact CE-CB 4.4Å; M125-L152 HydrophobicContact CE-CD1 4.2Å; M125-L152 HydrophobicContact CG-CD1 4.32Å; N126-L152 HydrophobicContact CB-CD1 3.75Å; N146-L152 HydrophobicContact CB-CD1 4.31Å; N146-L152 HydrophobicContact CB-CD2 3.82Å; N146-L152 HydrophobicContact CB-CG 4.02Å; Y150-L152 PolarHBondContact O-N 2.74Å; L152-R154 PolarHBondContact O-N 2.84Å; L152-N155 PolarHBondContact O-N 3.37Å; L152-F156 WeakPolarHBondContact O-CD2 3.1Å; L152-Q168 HydrophobicContact CD2-CB 3.87Å; L152-Q168 HydrophobicContact CD2-CG 4.13Å; L152-E170 HydrophobicContact CD1-CB 3.73Å; L152-E170 HydrophobicContact CD1-CG 4.05Å; L152-E170 HydrophobicContact CD2-CB 4.11Å
153	N	98.8	Very high	98.3	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.027	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-89.1	18.5	174.6	-154.9	26.5	0	0	0	112.7	M82 D151 L261 G264 M265	M82-N153 HydrophobicContact CE-CB 3.61Å; M82-N153 HydrophobicContact SD-CB 3.71Å; D151-N153 PolarHBondContact O-N 2.84Å; D151-N153 WeakPolarHBondContact OD1-CA 3.17Å; D151-N153 PolarHBondContact OD1-N 2.84Å; N153-L261 WeakPolarHBondContact O-CD2 3.47Å; N153-G264 VanDerWaalsContact OD1-CA 3.25Å; N153-G264 WeakPolarHBondContact OD1-CA 3.35Å; N153-M265 PolarHBondContact OD1-N 3.39Å
154	R	98.8	Very high	98.3	Very high	72 Å²	72	53 Å²	53	27%	0.272	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-127.4	12.7	163.5	-59.4	-65.4	-176.9	-75.3	-1.7	111.4	D151 L152 N163 L261 Q262 G263	D151-R154 HydrophobicContact CB-CB 4.14Å; D151-R154 HydrophobicContact CB-CG 3.97Å; D151-R154 PolarHBondContact O-N 2.94Å; D151-R154 PolarHBondContact OD1-N 3.48Å; L152-R154 PolarHBondContact O-N 2.84Å; R154-N163 PolarHBondContact O-ND2 3.43Å; R154-L261 VanDerWaalsContact NH1-CG 3.27Å; R154-Q262 WeakPolarHBondContact CA-O 3.3Å; R154-Q262 WeakPolarHBondContact CD-O 3.42Å; R154-G263 CarbonylContact C-O 2.85Å; R154-G263 VanDerWaalsContact C-O 3.28Å; R154-G263 WeakPolarHBondContact CA-O 3.22Å
155	N	98.8	Very high	98.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	24%	0.238	C	C	.	.			trans	-108.5	-7.7	-167.7	-163.1	-119.5	0	0	0	114.3	D151 L152 V165 S166 R167 Q168 T171 G263	D151-N155 PolarHBondContact O-N 2.76Å; L152-N155 PolarHBondContact O-N 3.37Å; N155-V165 VanDerWaalsContact ND2-CG2 3.31Å; N155-V165 WeakPolarHBondContact ND2-CG2 3.49Å; N155-S166 PolarHBondContact ND2-O 2.77Å; N155-R167 WeakPolarHBondContact O-CD 3.29Å; N155-R167 PolarHBondContact O-NE 2.97Å; N155-R167 PolarHBondContact O-NH1 3.02Å; N155-R167 WeakPolarHBondContact OD1-CA 3.42Å; N155-Q168 WeakPolarHBondContact OD1-CG 3.49Å; N155-Q168 PolarHBondContact OD1-N 2.79Å; N155-T171 HydrophobicContact CB-CG2 4.35Å; N155-T171 VanDerWaalsContact OD1-CB 3.23Å; N155-T171 WeakPolarHBondContact OD1-CB 3.46Å; N155-T171 PolarHBondContact OD1-OG1 2.71Å; N155-G263 PolarHBondContact N-O 3.34Å; N155-G263 VanDerWaalsContact N-O 3.16Å
156	F	98.8	Very high	98.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-81.3	156.9	178.2	-72.8	-100.7	0	0	0	111.7	M82 M125 L152 N163 R167 T171 V174 M175 G263 M265 Y268	M82-F156 HydrophobicContact CE-CE2 4.37Å; M125-F156 HydrophobicContact CE-CE2 4.05Å; M125-F156 HydrophobicContact CE-CZ 3.94Å; L152-F156 WeakPolarHBondContact O-CD2 3.1Å; F156-N163 PolarHBondContact O-ND2 3.01Å; F156-R167 PolarHBondContact O-NH2 3.23Å; F156-T171 HydrophobicContact CD1-CG2 3.96Å; F156-T171 HydrophobicContact CD2-CG2 3.91Å; F156-T171 HydrophobicContact CE1-CG2 3.94Å; F156-T171 HydrophobicContact CE2-CG2 3.86Å; F156-T171 HydrophobicContact CG-CG2 3.96Å; F156-T171 HydrophobicContact CZ-CG2 3.89Å; F156-V174 HydrophobicContact CE1-CG1 4.17Å; F156-V174 HydrophobicContact CZ-CB 4.25Å; F156-V174 HydrophobicContact CZ-CG1 3.99Å; F156-M175 HydrophobicContact CD1-CG 3.86Å; F156-M175 HydrophobicContact CD1-SD 4.41Å; F156-M175 HydrophobicContact CE1-CG 3.73Å; F156-G263 WeakPolarHBondContact CB-O 3.34Å; F156-G263 PolarHBondContact N-O 3.28Å; F156-G263 VanDerWaalsContact O-CA 3.27Å; F156-G263 WeakPolarHBondContact O-CA 3.49Å; F156-M265 HydrophobicContact CD2-CB 3.87Å; F156-M265 HydrophobicContact CD2-CG 4.42Å; F156-M265 HydrophobicContact CE1-CB 4.46Å; F156-M265 HydrophobicContact CE1-CG 3.99Å; F156-M265 HydrophobicContact CE2-CB 3.56Å; F156-M265 HydrophobicContact CE2-CG 3.79Å; F156-M265 HydrophobicContact CE2-SD 4.07Å; F156-M265 HydrophobicContact CG-CB 4.46Å; F156-M265 HydrophobicContact CZ-CB 3.87Å; F156-M265 HydrophobicContact CZ-CG 3.54Å; F156-M265 HydrophobicContact CZ-SD 3.68Å; F156-Y268 HydrophobicContact CB-CD2 4.3Å; F156-Y268 HydrophobicContact CB-CG 4.26Å; F156-Y268 AromaticContact CD1-CD1 3.71Å; F156-Y268 HydrophobicContact CD1-CD1 3.71Å; F156-Y268 AromaticContact CD1-CD2 3.92Å; F156-Y268 HydrophobicContact CD1-CD2 3.92Å; F156-Y268 HydrophobicContact CD1-CE1 4.28Å; F156-Y268 HydrophobicContact CD1-CE2 4.46Å; F156-Y268 AromaticContact CD1-CG 3.52Å; F156-Y268 HydrophobicContact CD1-CG 3.52Å; F156-Y268 HydrophobicContact CE1-CD1 4.03Å; F156-Y268 HydrophobicContact CE1-CE1 4.43Å; F156-Y268 HydrophobicContact CE1-CG 4.3Å; F156-Y268 HydrophobicContact CG-CG 4.27Å
157	P	98.6	Very high	98.2	Very high	8 Å²	8	56.5 Å²	56.5	5%	0.052	26%	0.257	C	S	.	.			trans	-50.1	145.2	164	-24.2	34.7	0	0	0	112	R167 M175 Y268 W272 M412	P157-R167 VanDerWaalsContact CA-NH2 3.27Å; P157-R167 VanDerWaalsContact N-NH2 3.17Å; P157-M175 HydrophobicContact CG-CE 3.94Å; P157-Y268 HydrophobicContact CB-CD2 4.36Å; P157-Y268 HydrophobicContact CG-CD2 4.15Å; P157-Y268 HydrophobicContact CG-CE2 4.02Å; P157-W272 HydrophobicContact CB-CH2 3.8Å; P157-W272 HydrophobicContact CB-CZ2 4.29Å; P157-W272 HydrophobicContact CB-CZ3 3.96Å; P157-W272 VanDerWaalsContact O-CZ3 3.23Å; P157-W272 WeakPolarHBondContact O-CZ3 3.32Å; P157-M412 HydrophobicContact CB-CB 3.89Å; P157-M412 HydrophobicContact CB-CG 4.46Å; P157-M412 HydrophobicContact CG-CB 3.94Å; P157-M412 HydrophobicContact CG-CG 4.27Å; P157-M412 HydrophobicContact CG-SD 3.98Å
158	D	98.6	Very high	98.2	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.027	24%	0.235	C	C	.	.			trans	-121.1	135.6	-177.3	-175.3	-76.5	0	0	0	109.6	F160 E161 N163 N202 Q262 G263	D158-F160 VanDerWaalsContact C-N 3.32Å; D158-F160 WeakPolarHBondContact OD1-CA 3.28Å; D158-F160 WeakPolarHBondContact OD1-CB 3.3Å; D158-F160 PolarHBondContact OD1-N 2.6Å; D158-E161 WeakPolarHBondContact CB-O 3.25Å; D158-E161 PolarHBondContact OD1-N 2.79Å; D158-N163 HydrophobicContact CB-CB 3.93Å; D158-N202 PolarHBondContact OD1-ND2 3.32Å; D158-N202 PolarHBondContact OD2-ND2 3.25Å; D158-N202 VanDerWaalsContact OD2-ND2 3.12Å; D158-Q262 HydrophobicContact CB-CG 4.11Å; D158-Q262 WeakPolarHBondContact OD2-CA 3.37Å; D158-G263 PolarHBondContact OD2-N 2.89Å
159	A	97.8	Very high	98.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	23%	0.233	C	C	.	.	S	Bend	trans	-84.8	-9.5	-172.5	0	0	0	0	0	112.4	I271 W272 P414 L415 Y416	A159-I271 HydrophobicContact CB-CD1 4.12Å; A159-I271 HydrophobicContact CB-CG1 3.98Å; A159-I271 HydrophobicContact CB-CG2 4.16Å; A159-W272 HydrophobicContact CB-CH2 3.95Å; A159-W272 HydrophobicContact CB-CZ2 4.35Å; A159-P414 CarbonylContact O-C 3.28Å; A159-P414 VanDerWaalsContact O-CA 3.27Å; A159-P414 WeakPolarHBondContact O-CA 2.96Å; A159-L415 PolarHBondContact O-N 3.46Å; A159-Y416 HydrophobicContact CB-CD2 4.02Å; A159-Y416 WeakPolarHBondContact O-CB 3.2Å; A159-Y416 PolarHBondContact O-N 3Å
160	F	97.8	Very high	98.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-108.2	-33.1	-172.5	-55.4	-82.6	0	0	0	111.9	D158 F200 N202 V204 T207 Y416 M417	D158-F160 VanDerWaalsContact C-N 3.32Å; D158-F160 WeakPolarHBondContact OD1-CA 3.28Å; D158-F160 WeakPolarHBondContact OD1-CB 3.3Å; D158-F160 PolarHBondContact OD1-N 2.6Å; F160-F200 HydrophobicContact CE2-CB 4.32Å; F160-F200 HydrophobicContact CE2-CD1 4.17Å; F160-F200 HydrophobicContact CE2-CG 4.29Å; F160-F200 HydrophobicContact CZ-CB 3.94Å; F160-F200 AromaticContact CZ-CD1 3.8Å; F160-F200 HydrophobicContact CZ-CD1 3.8Å; F160-F200 AromaticContact CZ-CD2 3.93Å; F160-F200 HydrophobicContact CZ-CD2 3.93Å; F160-F200 HydrophobicContact CZ-CE1 4.19Å; F160-F200 HydrophobicContact CZ-CE2 4.3Å; F160-F200 AromaticContact CZ-CG 3.65Å; F160-F200 HydrophobicContact CZ-CG 3.65Å; F160-F200 HydrophobicContact CZ-CZ 4.42Å; F160-N202 HydrophobicContact CD2-CB 3.51Å; F160-N202 HydrophobicContact CE2-CB 3.92Å; F160-N202 HydrophobicContact CG-CB 4.2Å; F160-V204 HydrophobicContact CB-CG1 4.13Å; F160-V204 HydrophobicContact CD1-CB 4.42Å; F160-V204 HydrophobicContact CD1-CG1 3.93Å; F160-V204 HydrophobicContact CD1-CG2 4.07Å; F160-V204 HydrophobicContact CE1-CG2 4.43Å; F160-T207 HydrophobicContact CE1-CG2 4.03Å; F160-Y416 HydrophobicContact CD1-CD2 4.07Å; F160-Y416 HydrophobicContact CD1-CG 4.06Å; F160-Y416 AromaticContact CE1-CD2 3.57Å; F160-Y416 HydrophobicContact CE1-CD2 3.57Å; F160-Y416 HydrophobicContact CE1-CE2 4.23Å; F160-Y416 AromaticContact CE1-CG 3.81Å; F160-Y416 HydrophobicContact CE1-CG 3.81Å; F160-Y416 AromaticContact CZ-CD2 3.96Å; F160-Y416 HydrophobicContact CZ-CD2 3.96Å; F160-Y416 HydrophobicContact CZ-CE2 4.34Å; F160-M417 WeakPolarHBondContact O-CB 3.46Å
161	E	96.9	Very high	98.3	Very high	81 Å²	81	35.1 Å²	35.1	38%	0.379	18%	0.176	S	C	.	.	S	Bend	trans	-152	158.3	180	49.5	172.5	145.2	0	0	112.6	D158 N163 N202 Q262 P414	D158-E161 WeakPolarHBondContact CB-O 3.25Å; D158-E161 PolarHBondContact OD1-N 2.79Å; E161-N163 PolarHBondContact O-N 2.88Å; E161-N202 PolarHBondContact OE1-ND2 3.22Å; E161-Q262 HydrophobicContact CG-CG 3.99Å; E161-Q262 VanDerWaalsContact CG-NE2 3.29Å; E161-Q262 PolarHBondContact OE2-NE2 2.66Å; E161-Q262 VanDerWaalsContact OE2-NE2 3.12Å; E161-P414 WeakPolarHBondContact O-CG 3.43Å
162	Y	97.6	Very high	98.3	Very high	131 Å²	131	37.8 Å²	37.8	51%	0.514	19%	0.19	S	C	.	.			trans	-69.1	108.6	-175.5	-78.6	-81.6	0	0	0	111.7	N164 P414 M417	Y162-N164 PolarHBondContact O-N 2.83Å; Y162-P414 HydrophobicContact CD1-CG 3.99Å; Y162-P414 HydrophobicContact CD2-CG 3.91Å; Y162-P414 HydrophobicContact CE1-CG 4.27Å; Y162-P414 HydrophobicContact CE2-CG 4.19Å; Y162-P414 HydrophobicContact CG-CG 3.8Å; Y162-P414 VanDerWaalsContact N-CG 3.3Å; Y162-M417 HydrophobicContact CD2-SD 4.34Å; Y162-M417 HydrophobicContact CE2-SD 4.19Å
163	N	97.8	Very high	98.3	Very high	12 Å²	12	38.2 Å²	38.2	6%	0.064	19%	0.194	C	C	.	.			trans	-90.5	74.9	172	-171.3	15.2	0	0	0	112.2	R154 F156 D158 E161 V165 R167 Q262	R154-N163 PolarHBondContact O-ND2 3.43Å; F156-N163 PolarHBondContact O-ND2 3.01Å; D158-N163 HydrophobicContact CB-CB 3.93Å; E161-N163 PolarHBondContact O-N 2.88Å; N163-V165 PolarHBondContact O-N 3.25Å; N163-V165 WeakPolarHBondContact OD1-CG1 3.34Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.43Å; N163-R167 PolarHBondContact O-NH1 3.12Å; N163-R167 PolarHBondContact O-NH2 2.91Å; N163-Q262 HydrophobicContact CB-CG 4.34Å
164	N	95.8	Very high	98.3	Very high	140 Å²	140	38 Å²	38	75%	0.749	19%	0.193	S	C	*	.			trans	-82	48.5	-174.5	-66.2	-24.5	0	0	0	113.8	Y162	Y162-N164 PolarHBondContact O-N 2.83Å
165	V	97.4	Very high	98.3	Very high	53 Å²	53	35.6 Å²	35.6	32%	0.321	19%	0.185	S	C	.	.	P	Polyproline II helix	trans	-95	153	174.9	-62.1	0	0	0	0	112.4	Y150 N155 N163 R167	Y150-V165 HydrophobicContact CE1-CB 4.34Å; N155-V165 VanDerWaalsContact ND2-CG2 3.31Å; N155-V165 WeakPolarHBondContact ND2-CG2 3.49Å; N163-V165 PolarHBondContact O-N 3.25Å; N163-V165 WeakPolarHBondContact OD1-CG1 3.34Å; N163-V165 WeakPolarHBondContact OD1-CG2 3.43Å; V165-R167 PolarHBondContact O-N 3.4Å; V165-R167 VanDerWaalsContact O-N 3.11Å; V165-R167 PolarHBondContact O-NH1 3.06Å
166	S	98.3	Very high	98.3	Very high	71 Å²	71	42.9 Å²	42.9	50%	0.497	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-59.3	117.9	173.3	-176	0	0	0	0	110	N155 Q168	N155-S166 PolarHBondContact ND2-O 2.77Å; S166-Q168 PolarHBondContact O-N 2.97Å; S166-Q168 PolarHBondContact O-NE2 3.32Å
167	R	98.6	Very high	98.3	Very high	63 Å²	63	43.1 Å²	43.1	24%	0.238	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-68.8	125.2	177.4	-64.1	-60.6	-177.6	-98.5	11.6	109.9	N155 F156 P157 N163 V165 L172	N155-R167 WeakPolarHBondContact O-CD 3.29Å; N155-R167 PolarHBondContact O-NE 2.97Å; N155-R167 PolarHBondContact O-NH1 3.02Å; N155-R167 WeakPolarHBondContact OD1-CA 3.42Å; F156-R167 PolarHBondContact O-NH2 3.23Å; P157-R167 VanDerWaalsContact CA-NH2 3.27Å; P157-R167 VanDerWaalsContact N-NH2 3.17Å; N163-R167 PolarHBondContact O-NH1 3.12Å; N163-R167 PolarHBondContact O-NH2 2.91Å; V165-R167 PolarHBondContact O-N 3.4Å; V165-R167 VanDerWaalsContact O-N 3.11Å; V165-R167 PolarHBondContact O-NH1 3.06Å; R167-L172 HydrophobicContact CB-CD1 4.31Å; R167-L172 HydrophobicContact CB-CD2 3.74Å; R167-L172 HydrophobicContact CB-CG 3.91Å; R167-L172 HydrophobicContact CG-CD2 4.39Å
168	Q	98.9	Very high	98.2	Very high	4 Å²	4	43 Å²	43	2%	0.019	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-83.2	156.4	-175.5	-60.8	-54.8	-61.4	0	0	111.5	N146 N148 Y150 L152 N155 S166 E170 T171 L172	N146-Q168 WeakPolarHBondContact ND2-CB 3.35Å; N146-Q168 VanDerWaalsContact ND2-CG 3.34Å; N146-Q168 WeakPolarHBondContact ND2-CG 3.15Å; N146-Q168 PolarHBondContact ND2-OE1 2.95Å; N148-Q168 PolarHBondContact ND2-OE1 3.37Å; Y150-Q168 HydrophobicContact CD2-CG 4.17Å; Y150-Q168 VanDerWaalsContact CE2-NE2 3.33Å; Y150-Q168 HydrophobicContact CG-CG 3.96Å; L152-Q168 HydrophobicContact CD2-CB 3.87Å; L152-Q168 HydrophobicContact CD2-CG 4.13Å; N155-Q168 WeakPolarHBondContact OD1-CG 3.49Å; N155-Q168 PolarHBondContact OD1-N 2.79Å; S166-Q168 PolarHBondContact O-N 2.97Å; S166-Q168 PolarHBondContact O-NE2 3.32Å; Q168-E170 PolarHBondContact O-N 2.87Å; Q168-T171 WeakPolarHBondContact O-CB 3.49Å; Q168-T171 PolarHBondContact O-N 2.82Å; Q168-T171 VanDerWaalsContact O-N 3.17Å; Q168-L172 WeakPolarHBondContact O-CG 3.5Å; Q168-L172 PolarHBondContact O-N 2.99Å
169	P	98.9	Very high	98.1	Very high	52 Å²	52	48.4 Å²	48.4	34%	0.338	24%	0.239	S	C	.	.	H	α-helix	trans	-53.9	-40.3	178.9	-28.4	37.4	0	0	0	113.5	V52 L172 A173	V52-P169 HydrophobicContact CG2-CG 3.84Å; P169-L172 PolarHBondContact O-N 2.9Å; P169-A173 VanDerWaalsContact O-CB 3.3Å; P169-A173 WeakPolarHBondContact O-CB 3.47Å; P169-A173 PolarHBondContact O-N 3.14Å
170	E	98.9	Very high	98.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-47.4	178.6	-58.3	81.4	-176.6	0	0	111.5	S51 V52 L57 M125 N146 L152 Q168 A173 V174	S51-E170 WeakPolarHBondContact CA-OE1 3.36Å; S51-E170 VanDerWaalsContact CB-OE1 3.3Å; S51-E170 WeakPolarHBondContact CB-OE1 3.43Å; V52-E170 PolarHBondContact N-OE1 2.81Å; L57-E170 HydrophobicContact CD1-CB 4.27Å; L57-E170 HydrophobicContact CD1-CG 4.31Å; L57-E170 HydrophobicContact CD2-CG 4.35Å; M125-E170 HydrophobicContact CE-CB 4.34Å; M125-E170 WeakPolarHBondContact O-CG 3.34Å; N146-E170 PolarHBondContact ND2-OE2 2.82Å; N146-E170 VanDerWaalsContact ND2-OE2 3.11Å; L152-E170 HydrophobicContact CD1-CB 3.73Å; L152-E170 HydrophobicContact CD1-CG 4.05Å; L152-E170 HydrophobicContact CD2-CB 4.11Å; Q168-E170 PolarHBondContact O-N 2.87Å; E170-A173 PolarHBondContact O-N 3.07Å; E170-V174 PolarHBondContact O-N 3.46Å
171	T	98.9	Very high	98	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.9	-47.7	176.2	-52	0	0	0	0	111.3	N155 F156 Q168 A173 V174 M175	N155-T171 HydrophobicContact CB-CG2 4.35Å; N155-T171 VanDerWaalsContact OD1-CB 3.23Å; N155-T171 WeakPolarHBondContact OD1-CB 3.46Å; N155-T171 PolarHBondContact OD1-OG1 2.71Å; F156-T171 HydrophobicContact CD1-CG2 3.96Å; F156-T171 HydrophobicContact CD2-CG2 3.91Å; F156-T171 HydrophobicContact CE1-CG2 3.94Å; F156-T171 HydrophobicContact CE2-CG2 3.86Å; F156-T171 HydrophobicContact CG-CG2 3.96Å; F156-T171 HydrophobicContact CZ-CG2 3.89Å; Q168-T171 WeakPolarHBondContact O-CB 3.49Å; Q168-T171 PolarHBondContact O-N 2.82Å; Q168-T171 VanDerWaalsContact O-N 3.17Å; T171-A173 VanDerWaalsContact C-N 3.34Å; T171-A173 PolarHBondContact O-N 3.48Å; T171-V174 PolarHBondContact O-N 3.28Å; T171-M175 HydrophobicContact CG2-CG 4.36Å; T171-M175 HydrophobicContact CG2-SD 3.91Å; T171-M175 WeakPolarHBondContact O-CB 3.47Å; T171-M175 WeakPolarHBondContact O-CG 3.23Å; T171-M175 PolarHBondContact O-N 3.06Å
172	L	98.9	Very high	98	Very high	88 Å²	88	52 Å²	52	46%	0.461	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-39.3	178.8	-69.2	174	0	0	0	112.1	R167 Q168 P169 M175 K176	R167-L172 HydrophobicContact CB-CD1 4.31Å; R167-L172 HydrophobicContact CB-CD2 3.74Å; R167-L172 HydrophobicContact CB-CG 3.91Å; R167-L172 HydrophobicContact CG-CD2 4.39Å; Q168-L172 WeakPolarHBondContact O-CG 3.5Å; Q168-L172 PolarHBondContact O-N 2.99Å; P169-L172 PolarHBondContact O-N 2.9Å; L172-M175 HydrophobicContact CD2-SD 4.48Å; L172-M175 PolarHBondContact O-N 3.4Å; L172-K176 WeakPolarHBondContact O-CB 3.32Å; L172-K176 PolarHBondContact O-N 2.92Å
173	A	98.9	Very high	98.1	Very high	9 Å²	9	45.9 Å²	45.9	7%	0.074	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-46.7	175.7	0	0	0	0	0	111	I48 L57 P169 E170 T171 K176 W177	I48-A173 HydrophobicContact CD1-CB 4.13Å; I48-A173 HydrophobicContact CG1-CB 4.22Å; L57-A173 HydrophobicContact CD1-CB 3.67Å; P169-A173 VanDerWaalsContact O-CB 3.3Å; P169-A173 WeakPolarHBondContact O-CB 3.47Å; P169-A173 PolarHBondContact O-N 3.14Å; E170-A173 PolarHBondContact O-N 3.07Å; T171-A173 VanDerWaalsContact C-N 3.34Å; T171-A173 PolarHBondContact O-N 3.48Å; A173-K176 PolarHBondContact O-N 3.48Å; A173-W177 WeakPolarHBondContact O-CB 3.49Å; A173-W177 PolarHBondContact O-N 3.12Å
174	V	98.9	Very high	98.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-44.2	177.2	171.4	0	0	0	0	111.8	I48 M122 M125 F156 E170 T171 K176 W177 L178 M265	I48-V174 HydrophobicContact CD1-CG2 3.84Å; M122-V174 HydrophobicContact SD-CG2 4.48Å; M125-V174 HydrophobicContact CE-CB 4.17Å; M125-V174 HydrophobicContact CE-CG2 3.67Å; M125-V174 HydrophobicContact CG-CG2 4.15Å; M125-V174 HydrophobicContact SD-CG2 3.9Å; F156-V174 HydrophobicContact CE1-CG1 4.17Å; F156-V174 HydrophobicContact CZ-CB 4.25Å; F156-V174 HydrophobicContact CZ-CG1 3.99Å; E170-V174 PolarHBondContact O-N 3.46Å; T171-V174 PolarHBondContact O-N 3.28Å; V174-K176 PolarHBondContact O-N 2.93Å; V174-W177 HydrophobicContact CG1-CE3 4.4Å; V174-W177 PolarHBondContact O-N 3.14Å; V174-W177 VanDerWaalsContact O-N 3.16Å; V174-L178 HydrophobicContact CG1-CD1 3.96Å; V174-L178 HydrophobicContact CG1-CG 4.31Å; V174-L178 WeakPolarHBondContact O-CB 3.5Å; V174-L178 WeakPolarHBondContact O-CG 3.45Å; V174-L178 PolarHBondContact O-N 3.39Å; V174-M265 HydrophobicContact CG1-SD 3.83Å
175	M	98.7	Very high	98.3	Very high	21 Å²	21	39 Å²	39	10%	0.103	20%	0.204	C	C	.	.	H	α-helix	trans	-58.8	-37.9	175.6	-71.3	173.4	66.2	0	0	112.1	F156 P157 T171 L172 Y268 M412	F156-M175 HydrophobicContact CD1-CG 3.86Å; F156-M175 HydrophobicContact CD1-SD 4.41Å; F156-M175 HydrophobicContact CE1-CG 3.73Å; P157-M175 HydrophobicContact CG-CE 3.94Å; T171-M175 HydrophobicContact CG2-CG 4.36Å; T171-M175 HydrophobicContact CG2-SD 3.91Å; T171-M175 WeakPolarHBondContact O-CB 3.47Å; T171-M175 WeakPolarHBondContact O-CG 3.23Å; T171-M175 PolarHBondContact O-N 3.06Å; L172-M175 HydrophobicContact CD2-SD 4.48Å; L172-M175 PolarHBondContact O-N 3.4Å; M175-Y268 HydrophobicContact CB-CE1 4.5Å; M175-Y268 HydrophobicContact CE-CE2 3.91Å; M175-Y268 HydrophobicContact CG-CE1 4.02Å; M175-Y268 HydrophobicContact CG-CE2 4.16Å; M175-M412 HydrophobicContact CE-CE 4.04Å; M175-M412 HydrophobicContact CE-SD 3.46Å; M175-M412 WeakPolarHBondContact CE-SD 3.23Å
176	K	98.4	Very high	98.3	Very high	154 Å²	154	36.4 Å²	36.4	67%	0.67	19%	0.189	S	C	*	.	H	α-helix	trans	-70	-45.9	174.7	-176.8	-179.2	178.4	-176.3	0	111.1	L172 A173 V174 L178 K179 T180	L172-K176 WeakPolarHBondContact O-CB 3.32Å; L172-K176 PolarHBondContact O-N 2.92Å; A173-K176 PolarHBondContact O-N 3.48Å; V174-K176 PolarHBondContact O-N 2.93Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.41Å; K176-K179 WeakPolarHBondContact O-CB 3.43Å; K176-K179 PolarHBondContact O-N 2.91Å; K176-T180 WeakPolarHBondContact O-CG2 3.31Å; K176-T180 PolarHBondContact O-N 2.92Å
177	W	98.8	Very high	98.4	Very high	5 Å²	5	33 Å²	33	2%	0.019	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-42.1	178.8	174.2	49.9	0	0	0	112.5	I48 V59 K77 V79 H120 M122 A173 V174 K179 T180 F183	I48-W177 HydrophobicContact CB-CB 4.04Å; I48-W177 HydrophobicContact CB-CG 4.24Å; I48-W177 HydrophobicContact CD1-CB 3.74Å; I48-W177 HydrophobicContact CD1-CD2 4.15Å; I48-W177 HydrophobicContact CD1-CE3 4.07Å; I48-W177 HydrophobicContact CD1-CG 4.06Å; I48-W177 HydrophobicContact CG2-CB 3.93Å; I48-W177 HydrophobicContact CG2-CD2 4.11Å; I48-W177 HydrophobicContact CG2-CG 3.59Å; V59-W177 HydrophobicContact CG1-CZ2 4.05Å; V59-W177 HydrophobicContact CG2-CH2 4.49Å; V59-W177 HydrophobicContact CG2-CZ2 4.12Å; K77-W177 HydrophobicContact CB-CH2 3.84Å; K77-W177 HydrophobicContact CB-CZ2 4.28Å; K77-W177 HydrophobicContact CD-CH2 3.65Å; K77-W177 HydrophobicContact CD-CZ2 4.29Å; K77-W177 HydrophobicContact CD-CZ3 3.82Å; K77-W177 HydrophobicContact CG-CH2 4.19Å; V79-W177 HydrophobicContact CG2-CH2 4.16Å; V79-W177 HydrophobicContact CG2-CZ3 3.77Å; H120-W177 HydrophobicContact CB-CH2 4.49Å; H120-W177 HydrophobicContact CB-CZ2 3.84Å; M122-W177 HydrophobicContact CE-CZ3 4.49Å; A173-W177 WeakPolarHBondContact O-CB 3.49Å; A173-W177 PolarHBondContact O-N 3.12Å; V174-W177 HydrophobicContact CG1-CE3 4.4Å; V174-W177 PolarHBondContact O-N 3.14Å; V174-W177 VanDerWaalsContact O-N 3.16Å; W177-K179 PolarHBondContact O-N 3.12Å; W177-T180 WeakPolarHBondContact O-CB 3.04Å; W177-T180 PolarHBondContact O-N 2.96Å; W177-T180 PolarHBondContact O-OG1 3.39Å; W177-F183 HydrophobicContact CD2-CE2 4.17Å; W177-F183 HydrophobicContact CD2-CZ 4.25Å; W177-F183 AromaticContact CE2-CE2 3.8Å; W177-F183 AromaticContact CE2-CZ 3.43Å; W177-F183 VanDerWaalsContact CE2-CZ 3.43Å; W177-F183 HydrophobicContact CG-CE2 4.49Å; W177-F183 HydrophobicContact CH2-CZ 4.26Å; W177-F183 HydrophobicContact CZ2-CE1 4.06Å; W177-F183 HydrophobicContact CZ2-CE2 4.12Å; W177-F183 AromaticContact CZ2-CZ 3.43Å; W177-F183 HydrophobicContact CZ2-CZ 3.43Å; W177-F183 VanDerWaalsContact CZ2-CZ 3.43Å; W177-F183 AromaticContact NE1-CE2 3.87Å; W177-F183 AromaticContact NE1-CZ 3.5Å
178	L	98.4	Very high	98.4	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.037	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.6	174.6	-77.5	171.5	0	0	0	114.1	K77 V174 K176 F183 Y268 N269 A273	K77-L178 HydrophobicContact CD-CD2 4.02Å; K77-L178 VanDerWaalsContact CE-CD2 3.46Å; V174-L178 HydrophobicContact CG1-CD1 3.96Å; V174-L178 HydrophobicContact CG1-CG 4.31Å; V174-L178 WeakPolarHBondContact O-CB 3.5Å; V174-L178 WeakPolarHBondContact O-CG 3.45Å; V174-L178 PolarHBondContact O-N 3.39Å; K176-L178 VanDerWaalsContact C-N 3.32Å; K176-L178 PolarHBondContact O-N 3.41Å; L178-F183 HydrophobicContact CD2-CD2 3.84Å; L178-F183 HydrophobicContact CD2-CE2 4.42Å; L178-Y268 HydrophobicContact CD1-CD1 3.78Å; L178-Y268 HydrophobicContact CD1-CE1 3.58Å; L178-N269 WeakPolarHBondContact CD2-OD1 3.15Å; L178-A273 HydrophobicContact CB-CB 4.05Å; L178-A273 HydrophobicContact CD1-CB 4.18Å; L178-A273 HydrophobicContact CD2-CB 4.11Å; L178-A273 HydrophobicContact CG-CB 4.35Å
179	K	96.1	Very high	98.4	Very high	117 Å²	117	30 Å²	30	51%	0.509	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-9	173.8	-61.2	-178.5	-175.4	-165.1	0	113.6	K176 W177	K176-K179 WeakPolarHBondContact O-CB 3.43Å; K176-K179 PolarHBondContact O-N 2.91Å; W177-K179 PolarHBondContact O-N 3.12Å
180	T	96.4	Very high	98.4	Very high	80 Å²	80	27.7 Å²	27.7	49%	0.491	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-26.9	-176.4	63.3	0	0	0	0	113.1	K176 W177	K176-T180 WeakPolarHBondContact O-CG2 3.31Å; K176-T180 PolarHBondContact O-N 2.92Å; W177-T180 WeakPolarHBondContact O-CB 3.04Å; W177-T180 PolarHBondContact O-N 2.96Å; W177-T180 PolarHBondContact O-OG1 3.39Å
181	E	96.6	Very high	98.4	Very high	45 Å²	45	27.7 Å²	27.7	21%	0.21	14%	0.139	C	C	.	.	S	Bend	trans	-135.2	160.3	-176.4	-60.7	-67.7	-167.7	0	0	110.5	E75 R118 F183	E75-E181 HydrophobicContact CG-CB 4.26Å; R118-E181 IonicContact CZ-OE1 2.7Å; R118-E181 VanDerWaalsContact NH1-CD 3.27Å; R118-E181 IonicContact NH1-OE1 3.78Å; R118-E181 PolarHBondContact NH1-OE1 3.1Å; R118-E181 IonicContact NH1-OE2 2.98Å; R118-E181 IonicContact NH2-OE1 3.69Å; E181-F183 VanDerWaalsContact C-N 3.34Å; E181-F183 HydrophobicContact CB-CD2 4.15Å; E181-F183 HydrophobicContact CB-CE1 4.43Å; E181-F183 HydrophobicContact CB-CE2 3.81Å; E181-F183 HydrophobicContact CB-CZ 3.95Å; E181-F183 HydrophobicContact CG-CE2 4.42Å; E181-F183 HydrophobicContact CG-CZ 4.25Å; E181-F183 PolarHBondContact O-N 2.89Å
182	T	96.9	Very high	98.2	Very high	40 Å²	40	28.4 Å²	28.4	25%	0.245	15%	0.146	C	C	.	.			trans	-89.4	71.7	173.9	-52.3	0	0	0	0	109.8	E75 V184 N346 Y352	E75-T182 WeakPolarHBondContact CB-O 3.23Å; T182-V184 PolarHBondContact O-N 3Å; T182-N346 HydrophobicContact CG2-CB 4.22Å; T182-N346 VanDerWaalsContact OG1-CB 3.24Å; T182-N346 WeakPolarHBondContact OG1-CB 3.28Å; T182-N346 PolarHBondContact OG1-ND2 2.77Å; T182-Y352 HydrophobicContact CG2-CD2 4.23Å; T182-Y352 HydrophobicContact CG2-CE2 4.44Å
183	F	98.8	Very high	98.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	127.2	176.7	-70.1	-68.4	0	0	0	111.4	E75 K77 H120 W177 L178 E181 C275	E75-F183 HydrophobicContact CB-CD1 3.9Å; E75-F183 HydrophobicContact CB-CE1 4.32Å; K77-F183 HydrophobicContact CB-CD1 3.86Å; K77-F183 HydrophobicContact CB-CE1 3.73Å; K77-F183 HydrophobicContact CD-CB 4.34Å; K77-F183 HydrophobicContact CD-CD1 3.67Å; K77-F183 HydrophobicContact CD-CD2 3.99Å; K77-F183 HydrophobicContact CD-CE1 3.88Å; K77-F183 HydrophobicContact CD-CE2 4.17Å; K77-F183 HydrophobicContact CD-CG 3.73Å; K77-F183 HydrophobicContact CD-CZ 4.13Å; K77-F183 HydrophobicContact CG-CD1 4.02Å; K77-F183 HydrophobicContact CG-CE1 4.28Å; K77-F183 HydrophobicContact CG-CG 4.48Å; H120-F183 HydrophobicContact CB-CE1 4.09Å; H120-F183 AromaticContact CD2-CE1 3.6Å; H120-F183 AromaticContact CG-CE1 3.69Å; H120-F183 AromaticContact ND1-CZ 3.98Å; H120-F183 AromaticContact NE2-CE1 3.88Å; W177-F183 HydrophobicContact CD2-CE2 4.17Å; W177-F183 HydrophobicContact CD2-CZ 4.25Å; W177-F183 AromaticContact CE2-CE2 3.8Å; W177-F183 AromaticContact CE2-CZ 3.43Å; W177-F183 VanDerWaalsContact CE2-CZ 3.43Å; W177-F183 HydrophobicContact CG-CE2 4.49Å; W177-F183 HydrophobicContact CH2-CZ 4.26Å; W177-F183 HydrophobicContact CZ2-CE1 4.06Å; W177-F183 HydrophobicContact CZ2-CE2 4.12Å; W177-F183 AromaticContact CZ2-CZ 3.43Å; W177-F183 HydrophobicContact CZ2-CZ 3.43Å; W177-F183 VanDerWaalsContact CZ2-CZ 3.43Å; W177-F183 AromaticContact NE1-CE2 3.87Å; W177-F183 AromaticContact NE1-CZ 3.5Å; L178-F183 HydrophobicContact CD2-CD2 3.84Å; L178-F183 HydrophobicContact CD2-CE2 4.42Å; E181-F183 VanDerWaalsContact C-N 3.34Å; E181-F183 HydrophobicContact CB-CD2 4.15Å; E181-F183 HydrophobicContact CB-CE1 4.43Å; E181-F183 HydrophobicContact CB-CE2 3.81Å; E181-F183 HydrophobicContact CB-CZ 3.95Å; E181-F183 HydrophobicContact CG-CE2 4.42Å; E181-F183 HydrophobicContact CG-CZ 4.25Å; E181-F183 PolarHBondContact O-N 2.89Å; F183-C275 HydrophobicContact CB-CB 3.99Å; F183-C275 VanDerWaalsContact O-CB 3.29Å; F183-C275 WeakPolarHBondContact O-CB 3.27Å
184	V	98.9	Very high	98.1	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.042	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-50.7	-176.8	180	0	0	0	0	110.8	P74 E75 T182 F276 V311 Y352 L354	P74-V184 HydrophobicContact CB-CB 4.36Å; P74-V184 HydrophobicContact CB-CG2 3.92Å; E75-V184 PolarHBondContact O-N 3.27Å; T182-V184 PolarHBondContact O-N 3Å; V184-F276 PolarHBondContact O-N 3.17Å; V184-V311 HydrophobicContact CB-CG2 3.84Å; V184-V311 HydrophobicContact CG1-CG2 4.02Å; V184-Y352 HydrophobicContact CG2-CD1 3.79Å; V184-Y352 HydrophobicContact CG2-CD2 3.98Å; V184-Y352 HydrophobicContact CG2-CE1 4.35Å; V184-Y352 HydrophobicContact CG2-CG 3.56Å; V184-L354 HydrophobicContact CG1-CD1 4.17Å; V184-L354 HydrophobicContact CG1-CD2 3.82Å; V184-L354 HydrophobicContact CG1-CG 3.9Å
185	L	98.9	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	146.2	-177.8	-177.6	65.8	0	0	0	110.7	F76 K77 L225 F276 Y307 Q310 V311 L354	F76-L185 WeakPolarHBondContact CA-O 3.47Å; F76-L185 HydrophobicContact CD2-CB 3.94Å; F76-L185 HydrophobicContact CD2-CD2 4.07Å; F76-L185 HydrophobicContact CD2-CG 4.02Å; F76-L185 WeakPolarHBondContact CD2-O 3.45Å; F76-L185 HydrophobicContact CE2-CB 4.3Å; F76-L185 HydrophobicContact CE2-CD2 3.92Å; F76-L185 HydrophobicContact CE2-CG 3.88Å; K77-L185 PolarHBondContact N-O 2.98Å; L185-L225 HydrophobicContact CD1-CD1 3.69Å; L185-L225 HydrophobicContact CD1-CD2 3.97Å; L185-L225 HydrophobicContact CD1-CG 4.47Å; L185-L225 HydrophobicContact CD2-CD2 4.21Å; L185-F276 CarbonylContact C-O 3.46Å; L185-F276 HydrophobicContact CD1-CB 4.07Å; L185-Y307 HydrophobicContact CD1-CE1 4.25Å; L185-Y307 WeakPolarHBondContact CD1-OH 3.43Å; L185-Y307 HydrophobicContact CD2-CD1 4.48Å; L185-Y307 HydrophobicContact CD2-CE1 4.09Å; L185-Y307 WeakPolarHBondContact CD2-O 3.39Å; L185-Y307 HydrophobicContact CG-CE1 4Å; L185-Q310 HydrophobicContact CD2-CB 3.82Å; L185-V311 HydrophobicContact CB-CB 4.02Å; L185-V311 HydrophobicContact CB-CG2 3.8Å; L185-V311 HydrophobicContact CD2-CB 4.13Å; L185-V311 VanDerWaalsContact CD2-N 3.33Å; L185-L354 HydrophobicContact CB-CD1 4.14Å; L185-L354 HydrophobicContact CD1-CD1 3.95Å
186	S	98.9	Very high	98.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	157.3	-177.7	-173.1	0	0	0	0	113.4	K77 F276 E277 I278 Y307	K77-S186 WeakPolarHBondContact CE-OG 3.19Å; K77-S186 VanDerWaalsContact CG-OG 3.22Å; K77-S186 WeakPolarHBondContact CG-OG 3.49Å; K77-S186 PolarHBondContact NZ-OG 3.19Å; K77-S186 WeakPolarHBondContact O-CA 3.13Å; K77-S186 PolarHBondContact O-OG 2.9Å; S186-F276 PolarHBondContact N-O 2.9Å; S186-E277 WeakPolarHBondContact CB-OE2 3.18Å; S186-E277 WeakPolarHBondContact O-CA 3.33Å; S186-E277 PolarHBondContact OG-OE2 3.48Å; S186-I278 PolarHBondContact O-N 2.95Å; S186-Y307 PolarHBondContact O-OH 2.88Å
187	A	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.9	151.1	0	0	0	0	0	111.9	K77 Y78 V79 L189 I278 L280 Y307	K77-A187 PolarHBondContact O-N 3.07Å; Y78-A187 WeakPolarHBondContact CA-O 3.49Å; Y78-A187 HydrophobicContact CD1-CB 3.82Å; Y78-A187 HydrophobicContact CE1-CB 3.56Å; V79-A187 PolarHBondContact N-O 2.93Å; A187-L189 HydrophobicContact CB-CD1 4.46Å; A187-I278 CarbonylContact C-O 3.55Å; A187-I278 WeakPolarHBondContact CA-O 3.22Å; A187-I278 HydrophobicContact CB-CG1 3.97Å; A187-I278 WeakPolarHBondContact CB-O 3.41Å; A187-L280 HydrophobicContact CB-CD1 3.57Å; A187-L280 HydrophobicContact CB-CG 3.9Å; A187-Y307 HydrophobicContact CB-CD1 4.49Å; A187-Y307 HydrophobicContact CB-CE1 3.82Å
188	N	98.9	Very high	98.2	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.1	167.5	70.8	70.1	0	0	0	110.1	V79 H190 M265 E277 I278 T279 L280	V79-N188 HydrophobicContact CB-CB 4.47Å; V79-N188 CarbonylContact O-C 3.59Å; V79-N188 WeakPolarHBondContact O-CA 3.44Å; N188-H190 PolarHBondContact OD1-CD2 2.84Å; N188-H190 PolarHBondContact OD1-NE2 3.36Å; N188-M265 HydrophobicContact CB-CE 3.36Å; N188-E277 PolarHBondContact ND2-OE1 3.37Å; N188-I278 PolarHBondContact N-O 3.45Å; N188-T279 PolarHBondContact ND2-OG1 3.09Å; N188-T279 WeakPolarHBondContact O-CA 3.39Å; N188-T279 WeakPolarHBondContact OD1-CG2 3.43Å; N188-T279 PolarHBondContact OD1-OG1 2.87Å; N188-L280 PolarHBondContact O-N 3.02Å
189	L	98.9	Very high	98.2	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	129.2	-168.6	-72.5	66.7	0	0	0	110.8	Y78 V79 A80 N81 L93 A187 L280 L282 L304	Y78-L189 HydrophobicContact CD1-CD1 3.49Å; Y78-L189 VanDerWaalsContact CD1-CD1 3.49Å; Y78-L189 HydrophobicContact CE1-CD1 4.04Å; Y78-L189 HydrophobicContact CG-CD1 4.16Å; V79-L189 WeakPolarHBondContact O-CD1 3.46Å; V79-L189 PolarHBondContact O-N 3.04Å; A80-L189 HydrophobicContact CB-CB 3.84Å; A80-L189 HydrophobicContact CB-CD2 4.42Å; N81-L189 PolarHBondContact N-O 3.01Å; L93-L189 HydrophobicContact CD1-CD2 4.4Å; L93-L189 HydrophobicContact CD2-CD2 3.79Å; L93-L189 HydrophobicContact CG-CD2 3.93Å; A187-L189 HydrophobicContact CB-CD1 4.46Å; L189-L280 HydrophobicContact CD1-CD1 4.36Å; L189-L280 HydrophobicContact CG-CB 4.45Å; L189-L280 HydrophobicContact CG-CD1 4.42Å; L189-L282 HydrophobicContact CB-CD1 3.98Å; L189-L282 HydrophobicContact CD2-CD1 3.63Å; L189-L282 HydrophobicContact CG-CD1 3.81Å; L189-L304 HydrophobicContact CD2-CD2 4.3Å
190	H	98.9	Very high	98.3	Very high	3 Å²	3	11.3 Å²	11.3	1%	0.014	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	171.9	-171	-79.9	-92	0	0	0	112.7	M82 H83 E86 N188 T279 L280 E281 L282	M82-H190 VanDerWaalsContact CG-CE1 3.45Å; M82-H190 WeakPolarHBondContact CG-CE1 2.98Å; M82-H190 PolarHBondContact SD-CE1 3.36Å; M82-H190 PolarHBondContact SD-NE2 3.48Å; H83-H190 AromaticContact CE1-CE1 3.36Å; H83-H190 PolarHBondContact CE1-CE1 2.86Å; H83-H190 AromaticContact CE1-ND1 3.64Å; H83-H190 AromaticContact ND1-CE1 3.36Å; H83-H190 PolarHBondContact ND1-CE1 2.88Å; H83-H190 AromaticContact ND1-ND1 3.3Å; H83-H190 PolarHBondContact ND1-ND1 3.43Å; E86-H190 WeakPolarHBondContact OE2-CA 3.32Å; E86-H190 WeakPolarHBondContact OE2-CB 3.28Å; E86-H190 IonicContact OE2-CE1 2.77Å; E86-H190 IonicContact OE2-CG 2.81Å; E86-H190 IonicContact OE2-ND1 3.07Å; E86-H190 PolarHBondContact OE2-ND1 2.86Å; N188-H190 PolarHBondContact OD1-CD2 2.84Å; N188-H190 PolarHBondContact OD1-NE2 3.36Å; H190-T279 HydrophobicContact CB-CG2 4.36Å; H190-L280 PolarHBondContact N-O 2.97Å; H190-E281 VanDerWaalsContact CB-CD 3.48Å; H190-E281 HydrophobicContact CB-CG 4.26Å; H190-L282 PolarHBondContact O-N 3.48Å
191	G	98.3	Very high	98.4	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.01	4%	0.044	C	C	.	.			trans	-144	153.4	171.3	0	0	0	0	0	111	E86 E281	E86-G191 WeakPolarHBondContact CG-O 3.41Å; E86-G191 PolarHBondContact OE2-N 2.85Å; G191-E281 WeakPolarHBondContact CA-OE2 3.34Å; G191-E281 PolarHBondContact N-OE2 3.14Å
192	G	96.4	Very high	98.5	Very high	15 Å²	15	6 Å²	6	16%	0.155	4%	0.036	C	C	.	.	S	Bend	trans	119	-10.9	-170.9	0	0	0	0	0	112.8	K245 E281 S283	G192-K245 WeakPolarHBondContact O-CD 3.42Å; G192-K245 WeakPolarHBondContact O-CE 3.38Å; G192-K245 PolarHBondContact O-NZ 3.04Å; G192-E281 PolarHBondContact N-OE2 3.13Å; G192-S283 PolarHBondContact N-O 2.92Å
193	A	97.4	Very high	98.5	Very high	2 Å²	2	4.7 Å²	4.7	2%	0.017	3%	0.03	C	C	.	.	S	Bend	trans	-143.6	-172.6	162.2	0	0	0	0	0	110.5	V195 F248 W258 E281 S283	A193-V195 HydrophobicContact CB-CG1 4.11Å; A193-F248 HydrophobicContact CB-CE2 4.39Å; A193-W258 HydrophobicContact CB-CH2 3.67Å; A193-W258 HydrophobicContact CB-CZ2 3.78Å; A193-E281 HydrophobicContact CB-CB 3.85Å; A193-E281 HydrophobicContact CB-CG 3.95Å; A193-E281 PolarHBondContact N-OE2 3.44Å; A193-E281 VanDerWaalsContact N-OE2 3.1Å; A193-E281 CarbonylContact O-C 3.59Å; A193-S283 PolarHBondContact N-O 3.17Å; A193-S283 CarbonylContact O-C 3.03Å; A193-S283 PolarHBondContact O-N 3.27Å; A193-S283 VanDerWaalsContact O-N 3.1Å
194	L	98.4	Very high	98.4	Very high	16 Å²	16	6 Å²	6	8%	0.084	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	82	171.3	-168.3	69.7	0	0	0	109.9	N235 M236 E241 C242 E281 L282	L194-N235 HydrophobicContact CD2-CB 3.57Å; L194-M236 HydrophobicContact CD1-CB 4.36Å; L194-M236 HydrophobicContact CD1-CE 4.15Å; L194-M236 HydrophobicContact CD2-CB 4.45Å; L194-M236 HydrophobicContact CG-CB 4.01Å; L194-M236 HydrophobicContact CG-CG 4.39Å; L194-E241 HydrophobicContact CD2-CB 3.76Å; L194-E241 HydrophobicContact CD2-CG 3.99Å; L194-C242 VanDerWaalsContact CB-SG 3.57Å; L194-E281 VanDerWaalsContact CA-O 3.31Å; L194-E281 WeakPolarHBondContact CA-O 3.4Å; L194-L282 VanDerWaalsContact CD1-C 3.46Å; L194-L282 WeakPolarHBondContact CD1-O 3.34Å
195	V	98.7	Very high	98.2	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	149	-172.8	62.4	0	0	0	0	110.9	A193 F248 G251 T253 W258 E281	A193-V195 HydrophobicContact CB-CG1 4.11Å; V195-F248 HydrophobicContact CB-CB 4.15Å; V195-F248 HydrophobicContact CB-CD1 4.32Å; V195-F248 HydrophobicContact CB-CD2 3.54Å; V195-F248 HydrophobicContact CB-CE2 3.93Å; V195-F248 HydrophobicContact CB-CG 3.74Å; V195-F248 HydrophobicContact CB-CZ 4.46Å; V195-F248 HydrophobicContact CG1-CD2 3.99Å; V195-F248 HydrophobicContact CG1-CE1 4.42Å; V195-F248 HydrophobicContact CG1-CE2 3.83Å; V195-F248 HydrophobicContact CG1-CG 4.33Å; V195-F248 HydrophobicContact CG1-CZ 4.05Å; V195-F248 HydrophobicContact CG2-CB 3.6Å; V195-F248 HydrophobicContact CG2-CD1 3.8Å; V195-F248 HydrophobicContact CG2-CD2 3.85Å; V195-F248 HydrophobicContact CG2-CE1 4.41Å; V195-F248 HydrophobicContact CG2-CE2 4.45Å; V195-F248 HydrophobicContact CG2-CG 3.46Å; V195-F248 VanDerWaalsContact CG2-CG 3.46Å; V195-G251 CarbonylContact C-O 3.55Å; V195-G251 WeakPolarHBondContact CA-O 3.42Å; V195-G251 WeakPolarHBondContact CG2-O 3.25Å; V195-T253 HydrophobicContact CG1-CG2 4.48Å; V195-T253 HydrophobicContact CG2-CG2 3.68Å; V195-W258 HydrophobicContact CG1-CE3 4.4Å; V195-W258 HydrophobicContact CG1-CH2 4.36Å; V195-W258 HydrophobicContact CG1-CZ3 4.09Å; V195-E281 HydrophobicContact CG1-CB 3.93Å; V195-E281 HydrophobicContact CG1-CG 4.04Å; V195-E281 PolarHBondContact N-O 3.23Å; V195-E281 VanDerWaalsContact N-O 3.15Å; V195-E281 VanDerWaalsContact O-CB 3.29Å; V195-E281 WeakPolarHBondContact O-CB 3.48Å; V195-E281 PolarHBondContact O-N 2.76Å
196	A	98.8	Very high	97.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	107.2	163.9	0	0	0	0	0	109.1	A226 A230 M236 G251 V252 T253 L280	A196-A226 HydrophobicContact CB-CB 3.94Å; A196-A230 HydrophobicContact CB-CB 4.36Å; A196-M236 HydrophobicContact CB-SD 4.1Å; A196-G251 PolarHBondContact N-O 3.22Å; A196-V252 HydrophobicContact CB-CG1 4.4Å; A196-V252 VanDerWaalsContact O-CA 3.29Å; A196-V252 WeakPolarHBondContact O-CA 3.49Å; A196-T253 PolarHBondContact O-N 2.96Å; A196-L280 HydrophobicContact CB-CD2 3.86Å
197	S	98.9	Very high	97.7	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.014	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.9	178.3	-172.1	0	0	0	0	110.5	T253 G255 Q266 I278 T279	S197-T253 CarbonylContact C-O 3.48Å; S197-T253 VanDerWaalsContact CA-O 3.23Å; S197-T253 WeakPolarHBondContact CA-O 3.35Å; S197-G255 WeakPolarHBondContact OG-CA 3.24Å; S197-Q266 PolarHBondContact O-OE1 3.41Å; S197-I278 WeakPolarHBondContact O-CB 3.24Å; S197-T279 PolarHBondContact N-O 2.85Å; S197-T279 PolarHBondContact O-N 3.35Å
198	Y	98.9	Very high	97.5	Very high	22 Å²	22	15 Å²	15	9%	0.086	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.4	-177.4	65.2	-95.1	0	0	0	112.3	D219 F222 Q223 A226 T253 N254 G255	Y198-D219 WeakPolarHBondContact CE2-OD1 3.42Å; Y198-F222 HydrophobicContact CD2-CB 3.89Å; Y198-F222 HydrophobicContact CG-CB 4.2Å; Y198-Q223 HydrophobicContact CE1-CG 4Å; Y198-Q223 HydrophobicContact CE2-CG 3.97Å; Y198-Q223 WeakPolarHBondContact OH-CG 3.33Å; Y198-A226 HydrophobicContact CD1-CB 3.87Å; Y198-T253 WeakPolarHBondContact CD1-O 3.26Å; Y198-T253 VanDerWaalsContact CE1-O 3.31Å; Y198-T253 WeakPolarHBondContact CE1-O 3.43Å; Y198-T253 PolarHBondContact N-O 3.5Å; Y198-N254 HydrophobicContact CE1-CB 4.46Å; Y198-N254 HydrophobicContact CE2-CB 3.82Å; Y198-G255 PolarHBondContact O-N 3.3Å
199	P	98.9	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-60.3	160.3	-175.4	-20.7	28	0	0	0	114.9	T216 F222 N254 Q266 E277	P199-T216 HydrophobicContact CB-CG2 3.67Å; P199-F222 VanDerWaalsContact CD-CD1 3.45Å; P199-F222 HydrophobicContact CG-CD1 3.96Å; P199-F222 HydrophobicContact CG-CE1 3.59Å; P199-F222 HydrophobicContact CG-CE2 4.22Å; P199-F222 HydrophobicContact CG-CG 4.41Å; P199-F222 HydrophobicContact CG-CZ 3.72Å; P199-N254 PolarHBondContact O-ND2 3.02Å; P199-Q266 HydrophobicContact CB-CG 4.47Å; P199-Q266 HydrophobicContact CG-CG 3.66Å; P199-E277 WeakPolarHBondContact CD-O 3.49Å; P199-E277 WeakPolarHBondContact CG-O 3.45Å
200	F	98.8	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.			cis	-82.5	147.3	-7.5	-67.2	-69	0	0	0	112.4	F160 N202 T207 S214 L215 T216 N254 Y256 D267 Y270 I271 Y416	F160-F200 HydrophobicContact CE2-CB 4.32Å; F160-F200 HydrophobicContact CE2-CD1 4.17Å; F160-F200 HydrophobicContact CE2-CG 4.29Å; F160-F200 HydrophobicContact CZ-CB 3.94Å; F160-F200 AromaticContact CZ-CD1 3.8Å; F160-F200 HydrophobicContact CZ-CD1 3.8Å; F160-F200 AromaticContact CZ-CD2 3.93Å; F160-F200 HydrophobicContact CZ-CD2 3.93Å; F160-F200 HydrophobicContact CZ-CE1 4.19Å; F160-F200 HydrophobicContact CZ-CE2 4.3Å; F160-F200 AromaticContact CZ-CG 3.65Å; F160-F200 HydrophobicContact CZ-CG 3.65Å; F160-F200 HydrophobicContact CZ-CZ 4.42Å; F200-N202 WeakPolarHBondContact CB-O 3.41Å; F200-T207 HydrophobicContact CD2-CG2 4.4Å; F200-T207 HydrophobicContact CE2-CG2 4.34Å; F200-S214 WeakPolarHBondContact CB-OG 3.43Å; F200-S214 PolarHBondContact N-O 2.77Å; F200-L215 WeakPolarHBondContact CD2-O 3.39Å; F200-L215 WeakPolarHBondContact CE2-O 3.42Å; F200-T216 HydrophobicContact CD1-CG2 4.01Å; F200-T216 HydrophobicContact CD2-CG2 3.71Å; F200-T216 HydrophobicContact CE1-CG2 3.91Å; F200-T216 HydrophobicContact CE2-CG2 3.61Å; F200-T216 HydrophobicContact CG-CG2 3.93Å; F200-T216 HydrophobicContact CZ-CG2 3.71Å; F200-N254 PolarHBondContact N-ND2 3.07Å; F200-Y256 PolarHBondContact O-N 3.47Å; F200-D267 WeakPolarHBondContact CA-OD1 3.12Å; F200-Y270 AromaticContact CE1-CD1 3.61Å; F200-Y270 HydrophobicContact CE1-CD1 3.61Å; F200-Y270 HydrophobicContact CE1-CE1 4Å; F200-Y270 AromaticContact CZ-CD1 3.9Å; F200-Y270 HydrophobicContact CZ-CD1 3.9Å; F200-Y270 AromaticContact CZ-CE1 3.79Å; F200-Y270 HydrophobicContact CZ-CE1 3.79Å; F200-I271 HydrophobicContact CE1-CD1 3.74Å; F200-I271 HydrophobicContact CE1-CG1 4.26Å; F200-I271 HydrophobicContact CZ-CD1 4.06Å; F200-Y416 HydrophobicContact CE2-CE2 4.34Å; F200-Y416 AromaticContact CZ-CE2 3.88Å; F200-Y416 HydrophobicContact CZ-CE2 3.88Å
201	D	98.7	Very high	96.6	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.027	16%	0.158	C	C	.	.	S	Bend	trans	-76.8	-36	171.7	-86.3	-11.6	0	0	0	111.4	G255 P260 L261 Q266 D267	D201-G255 WeakPolarHBondContact OD1-CA 3.41Å; D201-P260 WeakPolarHBondContact O-CA 3.46Å; D201-L261 HydrophobicContact CB-CB 3.96Å; D201-L261 HydrophobicContact CB-CD2 4.11Å; D201-L261 HydrophobicContact CB-CG 4.41Å; D201-L261 PolarHBondContact O-N 3.43Å; D201-Q266 PolarHBondContact OD1-NE2 3.02Å; D201-Q266 PolarHBondContact OD2-NE2 2.77Å; D201-D267 WeakPolarHBondContact CB-OD2 3.13Å; D201-D267 PolarHBondContact N-OD1 3.45Å; D201-D267 PolarHBondContact N-OD2 2.85Å
202	N	98.4	Very high	96.4	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.043	19%	0.186	C	C	.	.	S	Bend	trans	-111.5	177.9	171.9	-157.7	-0.8	0	0	0	111.7	D158 F160 E161 F200 S214 Y256 L261 D267	D158-N202 PolarHBondContact OD1-ND2 3.32Å; D158-N202 PolarHBondContact OD2-ND2 3.25Å; D158-N202 VanDerWaalsContact OD2-ND2 3.12Å; F160-N202 HydrophobicContact CD2-CB 3.51Å; F160-N202 HydrophobicContact CE2-CB 3.92Å; F160-N202 HydrophobicContact CG-CB 4.2Å; E161-N202 PolarHBondContact OE1-ND2 3.22Å; F200-N202 WeakPolarHBondContact CB-O 3.41Å; N202-S214 WeakPolarHBondContact O-CB 3.47Å; N202-S214 PolarHBondContact O-OG 3.09Å; N202-Y256 VanDerWaalsContact C-CD2 3.47Å; N202-L261 WeakPolarHBondContact CB-O 3.38Å; N202-D267 PolarHBondContact N-OD2 2.96Å
203	G	97.2	Very high	96.4	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	20%	0.2	C	C	.	.			trans	-169.4	164.9	-175.4	0	0	0	0	0	116.4	S214	G203-S214 WeakPolarHBondContact CA-OG 3.42Å
204	V	96.3	Very high	96.4	Very high	30 Å²	30	34.5 Å²	34.5	18%	0.182	20%	0.199	C	C	.	.			trans	-130.5	173.2	172.4	-72	0	0	0	0	109.6	F160 A206 T207 G208 A209	F160-V204 HydrophobicContact CB-CG1 4.13Å; F160-V204 HydrophobicContact CD1-CB 4.42Å; F160-V204 HydrophobicContact CD1-CG1 3.93Å; F160-V204 HydrophobicContact CD1-CG2 4.07Å; F160-V204 HydrophobicContact CE1-CG2 4.43Å; V204-A206 HydrophobicContact CG2-CB 4.05Å; V204-A206 PolarHBondContact O-N 3.19Å; V204-T207 HydrophobicContact CG2-CG2 4.21Å; V204-T207 PolarHBondContact N-OG1 3.24Å; V204-T207 PolarHBondContact O-N 3.28Å; V204-T207 PolarHBondContact O-OG1 3.16Å; V204-G208 PolarHBondContact O-N 3.07Å; V204-A209 VanDerWaalsContact C-CB 3.44Å; V204-A209 WeakPolarHBondContact O-CB 3.44Å; V204-A209 PolarHBondContact O-N 3.06Å; V204-A209 VanDerWaalsContact O-N 3.1Å
205	Q	94.3	Very high	96.4	Very high	118 Å²	118	36.5 Å²	36.5	55%	0.551	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-53.5	-39.6	176.7	-173	-177	29.4	0	0	112.2	T207 G208 L210	Q205-T207 VanDerWaalsContact C-N 3.25Å; Q205-T207 PolarHBondContact O-N 2.71Å; Q205-G208 PolarHBondContact O-N 2.76Å; Q205-L210 HydrophobicContact CG-CD1 3.77Å; Q205-L210 HydrophobicContact CG-CG 4.1Å; Q205-L210 VanDerWaalsContact NE2-CD1 3.32Å
206	A	92.9	Very high	96.4	Very high	44 Å²	44	37 Å²	37	36%	0.364	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.2	-26.8	-179.6	0	0	0	0	0	113.8	V204	V204-A206 HydrophobicContact CG2-CB 4.05Å; V204-A206 PolarHBondContact O-N 3.19Å
207	T	95.1	Very high	96.4	Very high	15 Å²	15	38.9 Å²	38.9	9%	0.092	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-94.1	-0.9	176	59.1	0	0	0	0	113.1	F160 F200 V204 Q205 S214 L215 Y416	F160-T207 HydrophobicContact CE1-CG2 4.03Å; F200-T207 HydrophobicContact CD2-CG2 4.4Å; F200-T207 HydrophobicContact CE2-CG2 4.34Å; V204-T207 HydrophobicContact CG2-CG2 4.21Å; V204-T207 PolarHBondContact N-OG1 3.24Å; V204-T207 PolarHBondContact O-N 3.28Å; V204-T207 PolarHBondContact O-OG1 3.16Å; Q205-T207 VanDerWaalsContact C-N 3.25Å; Q205-T207 PolarHBondContact O-N 2.71Å; T207-S214 VanDerWaalsContact CB-OG 3.31Å; T207-S214 WeakPolarHBondContact CB-OG 3.24Å; T207-S214 WeakPolarHBondContact O-CA 3.3Å; T207-S214 PolarHBondContact OG1-OG 3.21Å; T207-L215 PolarHBondContact O-N 3.34Å; T207-Y416 HydrophobicContact CG2-CD1 4.33Å; T207-Y416 HydrophobicContact CG2-CE1 4.27Å
208	G	94.5	Very high	96.4	Very high	19 Å²	19	39 Å²	39	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.6	15.6	175.6	0	0	0	0	0	115.3	V204 Q205 L210 S211 R213	V204-G208 PolarHBondContact O-N 3.07Å; Q205-G208 PolarHBondContact O-N 2.76Å; G208-L210 PolarHBondContact O-N 2.97Å; G208-S211 WeakPolarHBondContact O-CA 3.39Å; G208-S211 WeakPolarHBondContact O-CB 3.27Å; G208-S211 PolarHBondContact O-N 3.37Å; G208-R213 CarbonylContact C-O 3.57Å
209	A	92.3	Very high	96.4	Very high	16 Å²	16	39.1 Å²	39.1	13%	0.132	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-52.3	-32.7	-175.4	0	0	0	0	0	114.3	V204 S211 S212 R213 Y256	V204-A209 VanDerWaalsContact C-CB 3.44Å; V204-A209 WeakPolarHBondContact O-CB 3.44Å; V204-A209 PolarHBondContact O-N 3.06Å; V204-A209 VanDerWaalsContact O-N 3.1Å; A209-S211 PolarHBondContact O-N 3.19Å; A209-S212 PolarHBondContact O-N 2.94Å; A209-S212 VanDerWaalsContact O-N 3.09Å; A209-R213 WeakPolarHBondContact CA-O 3.48Å; A209-R213 PolarHBondContact N-O 3.04Å; A209-R213 VanDerWaalsContact N-O 3.12Å; A209-Y256 HydrophobicContact CB-CE1 4.03Å; A209-Y256 HydrophobicContact CB-CE2 4.43Å
210	L	91.8	Very high	96.3	Very high	138 Å²	138	41.9 Å²	41.9	72%	0.723	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-68	-17.1	175.9	-65.1	-177.2	0	0	0	114.1	Q205 G208	Q205-L210 HydrophobicContact CG-CD1 3.77Å; Q205-L210 HydrophobicContact CG-CG 4.1Å; Q205-L210 VanDerWaalsContact NE2-CD1 3.32Å; G208-L210 PolarHBondContact O-N 2.97Å
211	S	93.6	Very high	96.3	Very high	75 Å²	75	41.9 Å²	41.9	52%	0.524	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-101.2	19.1	173.4	-56.5	0	0	0	0	112.1	G208 A209 R213	G208-S211 WeakPolarHBondContact O-CA 3.39Å; G208-S211 WeakPolarHBondContact O-CB 3.27Å; G208-S211 PolarHBondContact O-N 3.37Å; A209-S211 PolarHBondContact O-N 3.19Å; S211-R213 VanDerWaalsContact C-N 3.27Å; S211-R213 PolarHBondContact O-N 2.8Å
212	S	94.6	Very high	96.4	Very high	84 Å²	84	41.7 Å²	41.7	59%	0.587	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	40.8	-178.8	-54.9	0	0	0	0	113.5	A209 S257	A209-S212 PolarHBondContact O-N 2.94Å; A209-S212 VanDerWaalsContact O-N 3.09Å; S212-S257 VanDerWaalsContact O-CA 3.24Å; S212-S257 WeakPolarHBondContact O-CA 3.5Å; S212-S257 WeakPolarHBondContact O-CB 3.42Å; S212-S257 PolarHBondContact O-OG 3.37Å
213	R	95.1	Very high	96.4	Very high	120 Å²	120	44.7 Å²	44.7	45%	0.453	26%	0.255	S	S	.	.			trans	-150.2	157	175	59.6	-179.1	168.4	175	-4.9	110.1	G208 A209 S211 L215	G208-R213 CarbonylContact C-O 3.57Å; A209-R213 WeakPolarHBondContact CA-O 3.48Å; A209-R213 PolarHBondContact N-O 3.04Å; A209-R213 VanDerWaalsContact N-O 3.12Å; S211-R213 VanDerWaalsContact C-N 3.27Å; S211-R213 PolarHBondContact O-N 2.8Å; R213-L215 HydrophobicContact CB-CD2 4.35Å; R213-L215 HydrophobicContact CG-CD2 4.45Å; R213-L215 HydrophobicContact CG-CG 4.48Å
214	S	98.3	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.267	C	S	.	.			trans	-137.9	102.6	173.3	-169	0	0	0	0	109.3	F200 N202 G203 T207 N254	F200-S214 WeakPolarHBondContact CB-OG 3.43Å; F200-S214 PolarHBondContact N-O 2.77Å; N202-S214 WeakPolarHBondContact O-CB 3.47Å; N202-S214 PolarHBondContact O-OG 3.09Å; G203-S214 WeakPolarHBondContact CA-OG 3.42Å; T207-S214 VanDerWaalsContact CB-OG 3.31Å; T207-S214 WeakPolarHBondContact CB-OG 3.24Å; T207-S214 WeakPolarHBondContact O-CA 3.3Å; T207-S214 PolarHBondContact OG1-OG 3.21Å; S214-N254 PolarHBondContact N-OD1 3.32Å; S214-N254 VanDerWaalsContact N-OD1 3.08Å; S214-N254 PolarHBondContact O-ND2 3.1Å
215	L	98.3	Very high	96.6	Very high	58 Å²	58	47.1 Å²	47.1	30%	0.304	26%	0.258	S	S	.	.			trans	-92.5	141.9	-169.5	-53.2	-177.9	0	0	0	111.9	F200 T207 R213 D219	F200-L215 WeakPolarHBondContact CD2-O 3.39Å; F200-L215 WeakPolarHBondContact CE2-O 3.42Å; T207-L215 PolarHBondContact O-N 3.34Å; R213-L215 HydrophobicContact CB-CD2 4.35Å; R213-L215 HydrophobicContact CG-CD2 4.45Å; R213-L215 HydrophobicContact CG-CG 4.48Å; L215-D219 HydrophobicContact CB-CB 4.44Å; L215-D219 WeakPolarHBondContact CD2-OD1 3.4Å
216	T	98.5	Very high	96.8	Very high	10 Å²	10	41.5 Å²	41.5	6%	0.061	23%	0.232	C	C	.	.			trans	-86.1	161.5	169.9	59.4	0	0	0	0	111.5	P199 F200 D218 D219 F222 Y270	P199-T216 HydrophobicContact CB-CG2 3.67Å; F200-T216 HydrophobicContact CD1-CG2 4.01Å; F200-T216 HydrophobicContact CD2-CG2 3.71Å; F200-T216 HydrophobicContact CE1-CG2 3.91Å; F200-T216 HydrophobicContact CE2-CG2 3.61Å; F200-T216 HydrophobicContact CG-CG2 3.93Å; F200-T216 HydrophobicContact CZ-CG2 3.71Å; T216-D218 PolarHBondContact O-N 2.98Å; T216-D218 VanDerWaalsContact OG1-C 3.32Å; T216-D218 PolarHBondContact OG1-N 2.97Å; T216-D219 PolarHBondContact O-N 3.33Å; T216-D219 WeakPolarHBondContact OG1-CA 3.47Å; T216-D219 PolarHBondContact OG1-N 2.95Å; T216-F222 HydrophobicContact CG2-CD2 4.09Å; T216-F222 HydrophobicContact CG2-CE2 3.97Å; T216-F222 VanDerWaalsContact OG1-CD2 3.3Å; T216-F222 WeakPolarHBondContact OG1-CD2 3.34Å; T216-Y270 HydrophobicContact CG2-CD1 4.06Å; T216-Y270 HydrophobicContact CG2-CE1 3.67Å
217	P	98.4	Very high	97.1	Very high	41 Å²	41	42.4 Å²	42.4	27%	0.266	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-25.8	164.3	-27.7	34.2	0	0	0	114.7	Y270 R337	P217-Y270 WeakPolarHBondContact CD-OH 3.5Å; P217-R337 HydrophobicContact CB-CB 4.28Å
218	D	98.7	Very high	97.3	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	32.2	-178.6	-58.6	-84	0	0	0	113	T216 D220 V221 F222 Y270 F276 R337 H339	T216-D218 PolarHBondContact O-N 2.98Å; T216-D218 VanDerWaalsContact OG1-C 3.32Å; T216-D218 PolarHBondContact OG1-N 2.97Å; D218-D220 PolarHBondContact O-N 3.35Å; D218-D220 VanDerWaalsContact O-N 3.12Å; D218-V221 HydrophobicContact CB-CB 4.28Å; D218-V221 HydrophobicContact CB-CG2 4.45Å; D218-V221 PolarHBondContact O-N 3.31Å; D218-F222 HydrophobicContact CB-CD2 4.26Å; D218-F222 HydrophobicContact CB-CE2 4.36Å; D218-F222 WeakPolarHBondContact O-CD2 3.45Å; D218-F222 PolarHBondContact O-N 2.59Å; D218-Y270 PolarHBondContact OD2-OH 3.12Å; D218-F276 HydrophobicContact CB-CE2 3.57Å; D218-F276 HydrophobicContact CB-CZ 3.76Å; D218-R337 WeakPolarHBondContact OD1-CD 3.31Å; D218-R337 IonicContact OD1-CZ 3.38Å; D218-R337 IonicContact OD1-NE 3.02Å; D218-R337 IonicContact OD1-NH1 3.82Å; D218-R337 PolarHBondContact OD1-NH1 3.15Å; D218-H339 IonicContact OD2-CD2 3.85Å; D218-H339 IonicContact OD2-CE1 3.94Å; D218-H339 IonicContact OD2-NE2 3.91Å; D218-H339 PolarHBondContact OD2-NE2 2.71Å
219	D	98.8	Very high	97.5	Very high	25 Å²	25	41 Å²	41	13%	0.134	22%	0.216	C	C	.	.	H	α-helix	trans	-55.2	-33.6	-175.7	-175.1	73.6	0	0	0	112.7	Y198 L215 T216 F222 Q223	Y198-D219 WeakPolarHBondContact CE2-OD1 3.42Å; L215-D219 HydrophobicContact CB-CB 4.44Å; L215-D219 WeakPolarHBondContact CD2-OD1 3.4Å; T216-D219 PolarHBondContact O-N 3.33Å; T216-D219 WeakPolarHBondContact OG1-CA 3.47Å; T216-D219 PolarHBondContact OG1-N 2.95Å; D219-F222 PolarHBondContact O-N 3.07Å; D219-Q223 WeakPolarHBondContact O-CB 3.3Å; D219-Q223 WeakPolarHBondContact O-CG 3.37Å; D219-Q223 PolarHBondContact O-N 2.84Å; D219-Q223 PolarHBondContact OD2-NE2 3.43Å
220	D	98.7	Very high	97.8	Very high	58 Å²	58	40.2 Å²	40.2	31%	0.31	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-44.3	175.4	66.2	-32.4	0	0	0	112.8	D218 Y224 R337 L356	D218-D220 PolarHBondContact O-N 3.35Å; D218-D220 VanDerWaalsContact O-N 3.12Å; D220-Y224 WeakPolarHBondContact O-CB 3.36Å; D220-Y224 PolarHBondContact O-N 2.99Å; D220-R337 IonicContact OD1-CZ 2.7Å; D220-R337 IonicContact OD1-NH1 3.56Å; D220-R337 PolarHBondContact OD1-NH1 3.41Å; D220-R337 VanDerWaalsContact OD1-NH1 3.1Å; D220-R337 IonicContact OD1-NH2 2.81Å; D220-R337 PolarHBondContact OD1-NH2 2.91Å; D220-R337 IonicContact OD2-CZ 3.73Å; D220-R337 IonicContact OD2-NH1 3.96Å; D220-R337 IonicContact OD2-NH2 3.77Å; D220-R337 PolarHBondContact OD2-NH2 3.27Å; D220-L356 HydrophobicContact CB-CD1 4.15Å
221	V	98.8	Very high	98.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67	-43.5	176.9	179.5	0	0	0	0	109.5	D218 Y224 L225 F276 L354 L356	D218-V221 HydrophobicContact CB-CB 4.28Å; D218-V221 HydrophobicContact CB-CG2 4.45Å; D218-V221 PolarHBondContact O-N 3.31Å; V221-Y224 WeakPolarHBondContact O-CB 3.35Å; V221-Y224 PolarHBondContact O-N 2.95Å; V221-L225 HydrophobicContact CG1-CD1 3.92Å; V221-L225 HydrophobicContact CG1-CG 4.18Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.35Å; V221-F276 HydrophobicContact CB-CE2 4.25Å; V221-F276 HydrophobicContact CG1-CD2 4.14Å; V221-F276 HydrophobicContact CG1-CE2 3.94Å; V221-L354 HydrophobicContact CG1-CB 4.11Å; V221-L356 HydrophobicContact CG2-CG 4.07Å
222	F	98.9	Very high	98.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-42.6	178.4	-83.5	-64.2	0	0	0	113.3	Y198 P199 T216 D218 D219 Y224 L225 A226 Y270 F276 I278	Y198-F222 HydrophobicContact CD2-CB 3.89Å; Y198-F222 HydrophobicContact CG-CB 4.2Å; P199-F222 VanDerWaalsContact CD-CD1 3.45Å; P199-F222 HydrophobicContact CG-CD1 3.96Å; P199-F222 HydrophobicContact CG-CE1 3.59Å; P199-F222 HydrophobicContact CG-CE2 4.22Å; P199-F222 HydrophobicContact CG-CG 4.41Å; P199-F222 HydrophobicContact CG-CZ 3.72Å; T216-F222 HydrophobicContact CG2-CD2 4.09Å; T216-F222 HydrophobicContact CG2-CE2 3.97Å; T216-F222 VanDerWaalsContact OG1-CD2 3.3Å; T216-F222 WeakPolarHBondContact OG1-CD2 3.34Å; D218-F222 HydrophobicContact CB-CD2 4.26Å; D218-F222 HydrophobicContact CB-CE2 4.36Å; D218-F222 WeakPolarHBondContact O-CD2 3.45Å; D218-F222 PolarHBondContact O-N 2.59Å; D219-F222 PolarHBondContact O-N 3.07Å; F222-Y224 VanDerWaalsContact C-N 3.33Å; F222-Y224 PolarHBondContact O-N 2.96Å; F222-L225 HydrophobicContact CD1-CD1 4.38Å; F222-L225 PolarHBondContact O-N 3.3Å; F222-A226 WeakPolarHBondContact O-CB 3.34Å; F222-A226 PolarHBondContact O-N 3.1Å; F222-Y270 AromaticContact CE2-CD2 3.75Å; F222-Y270 HydrophobicContact CE2-CD2 3.75Å; F222-Y270 HydrophobicContact CE2-CE1 4.47Å; F222-Y270 AromaticContact CE2-CE2 3.63Å; F222-Y270 HydrophobicContact CE2-CE2 3.63Å; F222-Y270 HydrophobicContact CE2-CG 4.23Å; F222-Y270 AromaticContact CZ-CD2 3.62Å; F222-Y270 HydrophobicContact CZ-CD2 3.62Å; F222-Y270 AromaticContact CZ-CE2 3.98Å; F222-Y270 HydrophobicContact CZ-CE2 3.98Å; F222-Y270 HydrophobicContact CZ-CG 4.06Å; F222-F276 HydrophobicContact CD1-CD2 4.35Å; F222-F276 HydrophobicContact CD2-CD2 4.27Å; F222-F276 HydrophobicContact CD2-CE2 4.34Å; F222-F276 HydrophobicContact CE1-CB 3.86Å; F222-F276 AromaticContact CE1-CD2 3.79Å; F222-F276 HydrophobicContact CE1-CD2 3.79Å; F222-F276 HydrophobicContact CE1-CG 4.06Å; F222-F276 AromaticContact CE2-CD2 3.71Å; F222-F276 HydrophobicContact CE2-CD2 3.71Å; F222-F276 AromaticContact CE2-CE2 3.85Å; F222-F276 HydrophobicContact CE2-CE2 3.85Å; F222-F276 HydrophobicContact CE2-CG 4.31Å; F222-F276 HydrophobicContact CZ-CB 3.9Å; F222-F276 HydrophobicContact CZ-CD1 4.43Å; F222-F276 AromaticContact CZ-CD2 3.44Å; F222-F276 HydrophobicContact CZ-CD2 3.44Å; F222-F276 VanDerWaalsContact CZ-CD2 3.44Å; F222-F276 HydrophobicContact CZ-CE2 4.06Å; F222-F276 AromaticContact CZ-CG 3.67Å; F222-F276 HydrophobicContact CZ-CG 3.67Å; F222-I278 HydrophobicContact CD1-CG2 3.79Å; F222-I278 HydrophobicContact CE1-CG2 4.2Å
223	Q	98.9	Very high	98.5	Very high	72 Å²	72	33 Å²	33	34%	0.336	16%	0.156	S	C	.	.	H	α-helix	trans	-59	-45.8	171.9	-76.7	-172.9	65.3	0	0	111.1	Y198 D219 L225 A226 H227	Y198-Q223 HydrophobicContact CE1-CG 4Å; Y198-Q223 HydrophobicContact CE2-CG 3.97Å; Y198-Q223 WeakPolarHBondContact OH-CG 3.33Å; D219-Q223 WeakPolarHBondContact O-CB 3.3Å; D219-Q223 WeakPolarHBondContact O-CG 3.37Å; D219-Q223 PolarHBondContact O-N 2.84Å; D219-Q223 PolarHBondContact OD2-NE2 3.43Å; Q223-L225 PolarHBondContact O-N 2.87Å; Q223-A226 PolarHBondContact O-N 3Å; Q223-H227 WeakPolarHBondContact O-CB 3.19Å; Q223-H227 PolarHBondContact O-CD2 3.3Å; Q223-H227 PolarHBondContact O-N 3.45Å
224	Y	98.9	Very high	98.7	Very high	92 Å²	92	30.7 Å²	30.7	36%	0.361	16%	0.156	S	C	.	.	H	α-helix	trans	-60.9	-43.4	176.4	176.8	-85.6	0	0	0	112.6	D220 V221 F222 H227 T228 Q310 L313 L356	D220-Y224 WeakPolarHBondContact O-CB 3.36Å; D220-Y224 PolarHBondContact O-N 2.99Å; V221-Y224 WeakPolarHBondContact O-CB 3.35Å; V221-Y224 PolarHBondContact O-N 2.95Å; F222-Y224 VanDerWaalsContact C-N 3.33Å; F222-Y224 PolarHBondContact O-N 2.96Å; Y224-H227 PolarHBondContact O-N 3.39Å; Y224-T228 WeakPolarHBondContact CE1-OG1 3.43Å; Y224-T228 WeakPolarHBondContact O-CB 3.25Å; Y224-T228 PolarHBondContact O-N 3.16Å; Y224-T228 PolarHBondContact O-OG1 3.33Å; Y224-Q310 HydrophobicContact CE1-CG 4.48Å; Y224-L313 HydrophobicContact CD1-CD1 3.9Å; Y224-L313 HydrophobicContact CE1-CD1 3.76Å; Y224-L313 HydrophobicContact CE1-CD2 4.23Å; Y224-L356 HydrophobicContact CD1-CD2 3.81Å; Y224-L356 HydrophobicContact CD2-CD2 3.86Å; Y224-L356 HydrophobicContact CE1-CD2 4.41Å; Y224-L356 HydrophobicContact CE2-CD2 4.43Å; Y224-L356 HydrophobicContact CG-CD2 3.51Å
225	L	98.9	Very high	98.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-46.6	177.9	-74.1	174.7	0	0	0	111.4	L185 V221 F222 Q223 T228 Y229 F276 Y307 Q310 L313	L185-L225 HydrophobicContact CD1-CD1 3.69Å; L185-L225 HydrophobicContact CD1-CD2 3.97Å; L185-L225 HydrophobicContact CD1-CG 4.47Å; L185-L225 HydrophobicContact CD2-CD2 4.21Å; V221-L225 HydrophobicContact CG1-CD1 3.92Å; V221-L225 HydrophobicContact CG1-CG 4.18Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 WeakPolarHBondContact O-CG 3.19Å; V221-L225 PolarHBondContact O-N 3.35Å; F222-L225 HydrophobicContact CD1-CD1 4.38Å; F222-L225 PolarHBondContact O-N 3.3Å; Q223-L225 PolarHBondContact O-N 2.87Å; L225-T228 WeakPolarHBondContact O-CB 3.34Å; L225-T228 PolarHBondContact O-N 3.12Å; L225-Y229 PolarHBondContact O-N 2.81Å; L225-F276 HydrophobicContact CD1-CB 4.41Å; L225-F276 HydrophobicContact CD1-CD2 4.19Å; L225-Y307 HydrophobicContact CB-CE2 4.02Å; L225-Y307 HydrophobicContact CD2-CE2 4.28Å; L225-Q310 HydrophobicContact CD2-CB 3.42Å; L225-Q310 VanDerWaalsContact CD2-CB 3.42Å; L225-Q310 HydrophobicContact CD2-CG 3.95Å; L225-L313 HydrophobicContact CD2-CD1 4.14Å
226	A	98.9	Very high	98.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.1	0	0	0	0	0	111.4	A196 Y198 F222 Q223 T228 Y229 A230 V252 I278	A196-A226 HydrophobicContact CB-CB 3.94Å; Y198-A226 HydrophobicContact CD1-CB 3.87Å; F222-A226 WeakPolarHBondContact O-CB 3.34Å; F222-A226 PolarHBondContact O-N 3.1Å; Q223-A226 PolarHBondContact O-N 3Å; A226-T228 VanDerWaalsContact C-N 3.3Å; A226-T228 PolarHBondContact O-N 2.92Å; A226-Y229 PolarHBondContact O-N 3.33Å; A226-A230 WeakPolarHBondContact O-CB 3.49Å; A226-A230 PolarHBondContact O-N 3.49Å; A226-V252 HydrophobicContact CB-CB 4.14Å; A226-V252 HydrophobicContact CB-CG1 3.81Å; A226-I278 HydrophobicContact CB-CD1 4.49Å
227	H	98.8	Very high	98.6	Very high	64 Å²	64	35.4 Å²	35.4	30%	0.296	18%	0.175	S	C	.	.	H	α-helix	trans	-63.7	-34.4	176.1	-81.9	-59.1	0	0	0	112.8	Q223 Y224 Y229 A230 S231 V252	Q223-H227 WeakPolarHBondContact O-CB 3.19Å; Q223-H227 PolarHBondContact O-CD2 3.3Å; Q223-H227 PolarHBondContact O-N 3.45Å; Y224-H227 PolarHBondContact O-N 3.39Å; H227-Y229 VanDerWaalsContact C-N 3.29Å; H227-Y229 PolarHBondContact O-N 3.37Å; H227-A230 PolarHBondContact O-N 2.83Å; H227-S231 WeakPolarHBondContact O-CB 3.34Å; H227-S231 PolarHBondContact O-N 3.4Å; H227-S231 PolarHBondContact O-OG 3.33Å; H227-V252 WeakPolarHBondContact CE1-CG2 3.39Å
228	T	98.8	Very high	98.5	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-44.8	176.6	-66.7	0	0	0	0	110.7	Y224 L225 A226 S231 R232 E306 Q310	Y224-T228 WeakPolarHBondContact CE1-OG1 3.43Å; Y224-T228 WeakPolarHBondContact O-CB 3.25Å; Y224-T228 PolarHBondContact O-N 3.16Å; Y224-T228 PolarHBondContact O-OG1 3.33Å; L225-T228 WeakPolarHBondContact O-CB 3.34Å; L225-T228 PolarHBondContact O-N 3.12Å; A226-T228 VanDerWaalsContact C-N 3.3Å; A226-T228 PolarHBondContact O-N 2.92Å; T228-S231 PolarHBondContact O-OG 3.41Å; T228-R232 WeakPolarHBondContact O-CD 3.1Å; T228-E306 HydrophobicContact CG2-CB 4.22Å; T228-Q310 HydrophobicContact CG2-CG 3.68Å
229	Y	98.9	Very high	98.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.6	-54.9	176.1	-165.7	-79.7	0	0	0	111.8	L225 A226 H227 S231 R232 N233 M236 L280 L282 N300 S303 L304 Y307	L225-Y229 PolarHBondContact O-N 2.81Å; A226-Y229 PolarHBondContact O-N 3.33Å; H227-Y229 VanDerWaalsContact C-N 3.29Å; H227-Y229 PolarHBondContact O-N 3.37Å; Y229-S231 PolarHBondContact O-N 3.41Å; Y229-R232 PolarHBondContact O-N 2.92Å; Y229-N233 PolarHBondContact O-N 3.21Å; Y229-M236 HydrophobicContact CD1-CE 4.2Å; Y229-M236 HydrophobicContact CD1-SD 3.94Å; Y229-M236 HydrophobicContact CE1-CE 4.05Å; Y229-M236 HydrophobicContact CE1-SD 4.35Å; Y229-L280 HydrophobicContact CD1-CD1 4.49Å; Y229-L280 HydrophobicContact CD1-CD2 3.68Å; Y229-L280 HydrophobicContact CD2-CD1 3.54Å; Y229-L280 HydrophobicContact CD2-CD2 3.86Å; Y229-L280 HydrophobicContact CD2-CG 4.35Å; Y229-L280 HydrophobicContact CE1-CD1 4.38Å; Y229-L280 HydrophobicContact CE1-CD2 4.16Å; Y229-L280 HydrophobicContact CE2-CD1 3.41Å; Y229-L280 VanDerWaalsContact CE2-CD1 3.41Å; Y229-L280 HydrophobicContact CE2-CD2 4.33Å; Y229-L280 HydrophobicContact CE2-CG 4.45Å; Y229-L280 HydrophobicContact CG-CD1 4.1Å; Y229-L280 HydrophobicContact CG-CD2 3.52Å; Y229-L280 HydrophobicContact CG-CG 4.45Å; Y229-L282 HydrophobicContact CE1-CD2 3.73Å; Y229-L282 WeakPolarHBondContact OH-CD2 3.49Å; Y229-N300 PolarHBondContact OH-OD1 2.86Å; Y229-S303 WeakPolarHBondContact CD2-O 3.39Å; Y229-S303 WeakPolarHBondContact O-CB 3.44Å; Y229-S303 PolarHBondContact O-OG 3.24Å; Y229-L304 HydrophobicContact CE2-CD2 3.96Å; Y229-L304 HydrophobicContact CE2-CG 4.15Å; Y229-Y307 HydrophobicContact CD2-CD2 4.46Å; Y229-Y307 HydrophobicContact CD2-CG 4.28Å
230	A	98.8	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-62.9	-40.2	-170.9	0	0	0	0	0	112.8	A196 A226 H227 R232 N233 M236 G251 V252	A196-A230 HydrophobicContact CB-CB 4.36Å; A226-A230 WeakPolarHBondContact O-CB 3.49Å; A226-A230 PolarHBondContact O-N 3.49Å; H227-A230 PolarHBondContact O-N 2.83Å; A230-R232 PolarHBondContact O-N 3Å; A230-R232 VanDerWaalsContact O-N 3.14Å; A230-N233 PolarHBondContact O-N 3.1Å; A230-N233 VanDerWaalsContact O-N 3.1Å; A230-M236 HydrophobicContact CB-CG 3.92Å; A230-M236 HydrophobicContact CB-SD 3.63Å; A230-G251 WeakPolarHBondContact CB-O 3.4Å; A230-V252 HydrophobicContact CB-CG1 3.75Å
231	S	98.6	Very high	97.5	Very high	46 Å²	46	43 Å²	43	32%	0.322	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.7	-178.6	61.5	0	0	0	0	114.3	H227 T228 Y229	H227-S231 WeakPolarHBondContact O-CB 3.34Å; H227-S231 PolarHBondContact O-N 3.4Å; H227-S231 PolarHBondContact O-OG 3.33Å; T228-S231 PolarHBondContact O-OG 3.41Å; Y229-S231 PolarHBondContact O-N 3.41Å
232	R	98.6	Very high	97.1	Very high	98 Å²	98	43.6 Å²	43.6	37%	0.37	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-10.8	178	-82.9	64.7	156.7	-166.4	-7.1	113.4	T228 Y229 A230 P234 A302 S303 E306	T228-R232 WeakPolarHBondContact O-CD 3.1Å; Y229-R232 PolarHBondContact O-N 2.92Å; A230-R232 PolarHBondContact O-N 3Å; A230-R232 VanDerWaalsContact O-N 3.14Å; R232-P234 WeakPolarHBondContact O-CD 3.46Å; R232-A302 HydrophobicContact CB-CB 4.45Å; R232-S303 VanDerWaalsContact CB-OG 3.24Å; R232-S303 WeakPolarHBondContact CB-OG 3.44Å; R232-E306 HydrophobicContact CG-CG 4.24Å; R232-E306 IonicContact CZ-OE2 3.85Å; R232-E306 IonicContact NE-OE2 3.75Å; R232-E306 IonicContact NH2-OE2 3.16Å; R232-E306 PolarHBondContact NH2-OE2 2.72Å
233	N	98.8	Very high	96.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.25	C	C	.	.	S	Bend	trans	-94.2	113.1	173.7	178.9	-42.3	0	0	0	108.8	Y229 A230 N235 M236 K237 N299 N300 S303	Y229-N233 PolarHBondContact O-N 3.21Å; A230-N233 PolarHBondContact O-N 3.1Å; A230-N233 VanDerWaalsContact O-N 3.1Å; N233-N235 PolarHBondContact O-N 2.98Å; N233-N235 VanDerWaalsContact O-N 3.12Å; N233-N235 PolarHBondContact OD1-N 3.12Å; N233-M236 HydrophobicContact CB-CB 3.76Å; N233-M236 PolarHBondContact O-N 3.49Å; N233-M236 PolarHBondContact OD1-N 3.46Å; N233-K237 WeakPolarHBondContact O-CB 3.39Å; N233-K237 PolarHBondContact O-N 3.01Å; N233-N299 WeakPolarHBondContact CA-O 3.48Å; N233-N300 PolarHBondContact ND2-OD1 3.19Å; N233-S303 PolarHBondContact N-OG 3.03Å; N233-S303 VanDerWaalsContact N-OG 3.13Å
234	P	98.1	Very high	95.3	Very high	71 Å²	71	57.1 Å²	57.1	46%	0.461	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-28.8	-172.6	-25.9	34.7	0	0	0	114.7	R232 K238	R232-P234 WeakPolarHBondContact O-CD 3.46Å; P234-K238 WeakPolarHBondContact O-CE 3.45Å
235	N	97.6	Very high	94.4	Very high	48 Å²	48	55.5 Å²	55.5	26%	0.257	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-45.5	-178.9	-67.7	-21	0	0	0	110.5	L194 N233 K237 K238 E241 N299	L194-N235 HydrophobicContact CD2-CB 3.57Å; N233-N235 PolarHBondContact O-N 2.98Å; N233-N235 VanDerWaalsContact O-N 3.12Å; N233-N235 PolarHBondContact OD1-N 3.12Å; N235-K237 VanDerWaalsContact C-N 3.31Å; N235-K237 PolarHBondContact O-N 3.05Å; N235-K238 WeakPolarHBondContact O-CB 3.2Å; N235-K238 PolarHBondContact O-N 3.31Å; N235-K238 VanDerWaalsContact O-N 3.16Å; N235-K238 PolarHBondContact OD1-NZ 2.7Å; N235-K238 VanDerWaalsContact OD1-NZ 3.11Å; N235-E241 HydrophobicContact CB-CG 3.96Å; N235-E241 VanDerWaalsContact O-CG 3.23Å; N235-E241 WeakPolarHBondContact O-CG 3.4Å; N235-N299 PolarHBondContact ND2-ND2 2.78Å
236	M	98.4	Very high	93.8	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-57.8	-43.9	179.2	-170.9	178.5	-74.3	0	0	111.8	L194 A196 Y229 A230 N233 K238 G239 G251 E281 L282	L194-M236 HydrophobicContact CD1-CB 4.36Å; L194-M236 HydrophobicContact CD1-CE 4.15Å; L194-M236 HydrophobicContact CD2-CB 4.45Å; L194-M236 HydrophobicContact CG-CB 4.01Å; L194-M236 HydrophobicContact CG-CG 4.39Å; A196-M236 HydrophobicContact CB-SD 4.1Å; Y229-M236 HydrophobicContact CD1-CE 4.2Å; Y229-M236 HydrophobicContact CD1-SD 3.94Å; Y229-M236 HydrophobicContact CE1-CE 4.05Å; Y229-M236 HydrophobicContact CE1-SD 4.35Å; A230-M236 HydrophobicContact CB-CG 3.92Å; A230-M236 HydrophobicContact CB-SD 3.63Å; N233-M236 HydrophobicContact CB-CB 3.76Å; N233-M236 PolarHBondContact O-N 3.49Å; N233-M236 PolarHBondContact OD1-N 3.46Å; M236-K238 PolarHBondContact O-N 3.16Å; M236-K238 VanDerWaalsContact O-N 3.11Å; M236-G239 PolarHBondContact O-N 2.84Å; M236-G239 VanDerWaalsContact O-N 3.12Å; M236-G251 WeakPolarHBondContact O-CA 3.45Å; M236-G251 PolarHBondContact O-N 3.12Å; M236-E281 WeakPolarHBondContact CE-O 3.49Å; M236-L282 HydrophobicContact CE-CD2 4.14Å
237	K	97.3	Very high	93.4	Very high	118 Å²	118	65 Å²	65	51%	0.513	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-56.4	-29.7	180	-178.4	179.1	168.6	-176.8	0	114	N233 N235 G239	N233-K237 WeakPolarHBondContact O-CB 3.39Å; N233-K237 PolarHBondContact O-N 3.01Å; N235-K237 VanDerWaalsContact C-N 3.31Å; N235-K237 PolarHBondContact O-N 3.05Å; K237-G239 VanDerWaalsContact C-N 3.32Å
238	K	96.2	Very high	93.2	Very high	110 Å²	110	62.4 Å²	62.4	48%	0.478	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-66.9	-36	-178.7	-64.7	166	-179.3	166.8	0	111.8	P234 N235 M236 D240 E241	P234-K238 WeakPolarHBondContact O-CE 3.45Å; N235-K238 WeakPolarHBondContact O-CB 3.2Å; N235-K238 PolarHBondContact O-N 3.31Å; N235-K238 VanDerWaalsContact O-N 3.16Å; N235-K238 PolarHBondContact OD1-NZ 2.7Å; N235-K238 VanDerWaalsContact OD1-NZ 3.11Å; M236-K238 PolarHBondContact O-N 3.16Å; M236-K238 VanDerWaalsContact O-N 3.11Å; K238-D240 VanDerWaalsContact C-N 3.33Å; K238-D240 PolarHBondContact O-N 3.05Å; K238-E241 HydrophobicContact CB-CG 4.29Å; K238-E241 HydrophobicContact CD-CG 3.96Å; K238-E241 WeakPolarHBondContact CD-OE1 3.34Å; K238-E241 WeakPolarHBondContact CE-OE1 3.21Å; K238-E241 IonicContact NZ-OE1 2.72Å; K238-E241 PolarHBondContact NZ-OE1 2.97Å; K238-E241 IonicContact NZ-OE2 3.88Å
239	G	93.8	Very high	93	Very high	8 Å²	8	67 Å²	67	8%	0.082	34%	0.339	C	S	.	.	S	Bend	trans	83.4	-5.9	174.6	0	0	0	0	0	116.4	M236 K237 N247 F248	M236-G239 PolarHBondContact O-N 2.84Å; M236-G239 VanDerWaalsContact O-N 3.12Å; K237-G239 VanDerWaalsContact C-N 3.32Å; G239-N247 CarbonylContact O-C 3.46Å; G239-N247 WeakPolarHBondContact O-CA 3.31Å; G239-N247 WeakPolarHBondContact O-CB 3.47Å; G239-F248 WeakPolarHBondContact CA-O 3.35Å; G239-F248 PolarHBondContact O-N 3.2Å
240	D	91.3	Very high	92.9	Very high	99 Å²	99	71.8 Å²	71.8	53%	0.529	37%	0.365	S	S	.	.			trans	-129.9	20.4	-174.4	65.1	-20	0	0	0	114	K238	K238-D240 VanDerWaalsContact C-N 3.33Å; K238-D240 PolarHBondContact O-N 3.05Å
241	E	90.2	Very high	92.8	Very high	72 Å²	72	71.8 Å²	71.8	34%	0.336	37%	0.365	S	S	.	.			trans	-72.4	-35.6	-172.2	-76.9	-78.7	130	0	0	114.6	L194 N235 K238 K243	L194-E241 HydrophobicContact CD2-CB 3.76Å; L194-E241 HydrophobicContact CD2-CG 3.99Å; N235-E241 HydrophobicContact CB-CG 3.96Å; N235-E241 VanDerWaalsContact O-CG 3.23Å; N235-E241 WeakPolarHBondContact O-CG 3.4Å; K238-E241 HydrophobicContact CB-CG 4.29Å; K238-E241 HydrophobicContact CD-CG 3.96Å; K238-E241 WeakPolarHBondContact CD-OE1 3.34Å; K238-E241 WeakPolarHBondContact CE-OE1 3.21Å; K238-E241 IonicContact NZ-OE1 2.72Å; K238-E241 PolarHBondContact NZ-OE1 2.97Å; K238-E241 IonicContact NZ-OE2 3.88Å; E241-K243 PolarHBondContact O-N 3.05Å
242	C	90.3	Very high	92.8	Very high	11 Å²	11	70.5 Å²	70.5	7%	0.074	36%	0.355	C	S	.	.	S	Bend	trans	-85.2	99.5	-175.7	-60.9	0	0	0	0	111.5	L194 N244 K245 C284	L194-C242 VanDerWaalsContact CB-SG 3.57Å; C242-N244 PolarHBondContact O-N 3.03Å; C242-K245 HydrophobicContact CB-CB 3.79Å; C242-K245 HydrophobicContact CB-CD 3.88Å; C242-K245 HydrophobicContact CB-CG 3.99Å; C242-K245 PolarHBondContact O-N 3.4Å; C242-C284 WeakPolarHBondContact CA-SG 3.2Å; C242-C284 HydrophobicContact CB-CB 3.81Å; C242-C284 WeakPolarHBondContact CB-SG 3.5Å; C242-C284 WeakPolarHBondContact SG-CA 3.44Å; C242-C284 WeakPolarHBondContact SG-CB 3.44Å; C242-C284 CovalentContact SG-SG 2.03Å; C242-C284 PolarHBondContact SG-SG 3.49Å
243	K	84	Confident	92.8	Very high	183 Å²	183	66.7 Å²	66.7	80%	0.796	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	136.1	175.1	-60.9	-175.3	-177.5	-176.7	0	111.6	E241 K245	E241-K243 PolarHBondContact O-N 3.05Å; K243-K245 PolarHBondContact O-N 3.31Å
244	N	75.5	Confident	92.8	Very high	173 Å²	173	66.7 Å²	66.7	93%	0.925	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	19.5	-178	-51.5	-33.1	0	0	0	114.7	C242	C242-N244 PolarHBondContact O-N 3.03Å
245	K	79.9	Confident	92.8	Very high	59 Å²	59	63.4 Å²	63.4	26%	0.257	32%	0.321	S	S	.	.	S	Bend	trans	-115.9	165.7	168.6	-57.7	-166.9	178.7	177	0	109.4	G192 C242 K243 C284	G192-K245 WeakPolarHBondContact O-CD 3.42Å; G192-K245 WeakPolarHBondContact O-CE 3.38Å; G192-K245 PolarHBondContact O-NZ 3.04Å; C242-K245 HydrophobicContact CB-CB 3.79Å; C242-K245 HydrophobicContact CB-CD 3.88Å; C242-K245 HydrophobicContact CB-CG 3.99Å; C242-K245 PolarHBondContact O-N 3.4Å; K243-K245 PolarHBondContact O-N 3.31Å; K245-C284 PolarHBondContact NZ-O 2.99Å
246	M	87.4	Confident	92.9	Very high	104 Å²	104	63.3 Å²	63.3	51%	0.512	32%	0.318	S	S	.	.			trans	-61.3	142.1	176.6	-176.8	171.5	177.9	0	0	110.4	F248	M246-F248 HydrophobicContact CB-CE1 4.29Å; M246-F248 HydrophobicContact CB-CZ 4Å; M246-F248 HydrophobicContact CG-CE1 4.08Å; M246-F248 HydrophobicContact CG-CZ 4.31Å; M246-F248 WeakPolarHBondContact O-CD2 3.48Å; M246-F248 WeakPolarHBondContact O-CE2 3.47Å; M246-F248 HydrophobicContact SD-CE1 4.13Å
247	N	90.4	Very high	92.8	Very high	95 Å²	95	65.6 Å²	65.6	51%	0.508	33%	0.334	S	S	.	.			trans	-84.5	142.4	172.8	-70.1	-2	0	0	0	110.1	G239	G239-N247 CarbonylContact O-C 3.46Å; G239-N247 WeakPolarHBondContact O-CA 3.31Å; G239-N247 WeakPolarHBondContact O-CB 3.47Å
248	F	94.5	Very high	92.9	Very high	9 Å²	9	62.7 Å²	62.7	4%	0.039	32%	0.32	C	S	.	.			trans	-123.5	96.8	-179.4	-54	-74.4	0	0	0	109.1	A193 V195 G239 M246 N250 G251 T253 W258	A193-F248 HydrophobicContact CB-CE2 4.39Å; V195-F248 HydrophobicContact CB-CB 4.15Å; V195-F248 HydrophobicContact CB-CD1 4.32Å; V195-F248 HydrophobicContact CB-CD2 3.54Å; V195-F248 HydrophobicContact CB-CE2 3.93Å; V195-F248 HydrophobicContact CB-CG 3.74Å; V195-F248 HydrophobicContact CB-CZ 4.46Å; V195-F248 HydrophobicContact CG1-CD2 3.99Å; V195-F248 HydrophobicContact CG1-CE1 4.42Å; V195-F248 HydrophobicContact CG1-CE2 3.83Å; V195-F248 HydrophobicContact CG1-CG 4.33Å; V195-F248 HydrophobicContact CG1-CZ 4.05Å; V195-F248 HydrophobicContact CG2-CB 3.6Å; V195-F248 HydrophobicContact CG2-CD1 3.8Å; V195-F248 HydrophobicContact CG2-CD2 3.85Å; V195-F248 HydrophobicContact CG2-CE1 4.41Å; V195-F248 HydrophobicContact CG2-CE2 4.45Å; V195-F248 HydrophobicContact CG2-CG 3.46Å; V195-F248 VanDerWaalsContact CG2-CG 3.46Å; G239-F248 WeakPolarHBondContact CA-O 3.35Å; G239-F248 PolarHBondContact O-N 3.2Å; M246-F248 HydrophobicContact CB-CE1 4.29Å; M246-F248 HydrophobicContact CB-CZ 4Å; M246-F248 HydrophobicContact CG-CE1 4.08Å; M246-F248 HydrophobicContact CG-CZ 4.31Å; M246-F248 WeakPolarHBondContact O-CD2 3.48Å; M246-F248 WeakPolarHBondContact O-CE2 3.47Å; M246-F248 HydrophobicContact SD-CE1 4.13Å; F248-N250 PolarHBondContact O-N 2.85Å; F248-G251 WeakPolarHBondContact O-CA 3.32Å; F248-G251 PolarHBondContact O-N 3.36Å; F248-T253 HydrophobicContact CD1-CG2 3.98Å; F248-T253 HydrophobicContact CE1-CG2 4.05Å; F248-W258 HydrophobicContact CE1-CB 4.34Å; F248-W258 AromaticContact CE1-CD1 3.73Å; F248-W258 HydrophobicContact CE1-CD2 4.01Å; F248-W258 AromaticContact CE1-CG 3.77Å; F248-W258 HydrophobicContact CE1-CG 3.77Å; F248-W258 AromaticContact CE1-NE1 3.98Å; F248-W258 AromaticContact CZ-CD1 3.84Å; F248-W258 AromaticContact CZ-CD2 3.94Å; F248-W258 HydrophobicContact CZ-CD2 3.94Å; F248-W258 AromaticContact CZ-CE2 3.63Å; F248-W258 HydrophobicContact CZ-CG 4.08Å; F248-W258 HydrophobicContact CZ-CZ2 4.15Å; F248-W258 AromaticContact CZ-NE1 3.58Å
249	P	94.3	Very high	92.9	Very high	100 Å²	100	61.1 Å²	61.1	65%	0.649	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-50.8	129.7	179.6	-27.1	35	0	0	0	111.6	G251	P249-G251 PolarHBondContact O-N 3.03Å; P249-G251 VanDerWaalsContact O-N 3.13Å
250	N	96.2	Very high	93	Very high	100 Å²	100	64.3 Å²	64.3	54%	0.535	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	60.7	11.7	-174.9	-53	-53.8	0	0	0	115.7	F248	F248-N250 PolarHBondContact O-N 2.85Å
251	G	97.9	Very high	93.4	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	73.3	22.9	176.9	0	0	0	0	0	114.9	V195 A196 A230 M236 F248 P249	V195-G251 CarbonylContact C-O 3.55Å; V195-G251 WeakPolarHBondContact CA-O 3.42Å; V195-G251 WeakPolarHBondContact CG2-O 3.25Å; A196-G251 PolarHBondContact N-O 3.22Å; A230-G251 WeakPolarHBondContact CB-O 3.4Å; M236-G251 WeakPolarHBondContact O-CA 3.45Å; M236-G251 PolarHBondContact O-N 3.12Å; F248-G251 WeakPolarHBondContact O-CA 3.32Å; F248-G251 PolarHBondContact O-N 3.36Å; P249-G251 PolarHBondContact O-N 3.03Å; P249-G251 VanDerWaalsContact O-N 3.13Å
252	V	98.6	Very high	93.8	Very high	19 Å²	19	59.1 Å²	59.1	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.3	179	-56.3	0	0	0	0	111.7	A196 A226 H227 A230	A196-V252 HydrophobicContact CB-CG1 4.4Å; A196-V252 VanDerWaalsContact O-CA 3.29Å; A196-V252 WeakPolarHBondContact O-CA 3.49Å; A226-V252 HydrophobicContact CB-CB 4.14Å; A226-V252 HydrophobicContact CB-CG1 3.81Å; H227-V252 WeakPolarHBondContact CE1-CG2 3.39Å; A230-V252 HydrophobicContact CB-CG1 3.75Å
253	T	98.6	Very high	94.2	Very high	18 Å²	18	58.6 Å²	58.6	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	149.5	174.2	-161.5	0	0	0	0	112.9	V195 A196 S197 Y198 F248 W258	V195-T253 HydrophobicContact CG1-CG2 4.48Å; V195-T253 HydrophobicContact CG2-CG2 3.68Å; A196-T253 PolarHBondContact O-N 2.96Å; S197-T253 CarbonylContact C-O 3.48Å; S197-T253 VanDerWaalsContact CA-O 3.23Å; S197-T253 WeakPolarHBondContact CA-O 3.35Å; Y198-T253 WeakPolarHBondContact CD1-O 3.26Å; Y198-T253 VanDerWaalsContact CE1-O 3.31Å; Y198-T253 WeakPolarHBondContact CE1-O 3.43Å; Y198-T253 PolarHBondContact N-O 3.5Å; F248-T253 HydrophobicContact CD1-CG2 3.98Å; F248-T253 HydrophobicContact CE1-CG2 4.05Å; T253-W258 HydrophobicContact CG2-CB 3.88Å; T253-W258 HydrophobicContact CG2-CD2 4.49Å; T253-W258 HydrophobicContact CG2-CE3 4.24Å; T253-W258 HydrophobicContact CG2-CG 4.39Å
254	N	98.7	Very high	94.9	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	136.6	164.7	171.4	-109.4	0	0	0	108.8	Y198 P199 F200 S214 Y256 S257 W258	Y198-N254 HydrophobicContact CE1-CB 4.46Å; Y198-N254 HydrophobicContact CE2-CB 3.82Å; P199-N254 PolarHBondContact O-ND2 3.02Å; F200-N254 PolarHBondContact N-ND2 3.07Å; S214-N254 PolarHBondContact N-OD1 3.32Å; S214-N254 VanDerWaalsContact N-OD1 3.08Å; S214-N254 PolarHBondContact O-ND2 3.1Å; N254-Y256 PolarHBondContact O-N 2.79Å; N254-Y256 WeakPolarHBondContact OD1-CB 3.48Å; N254-Y256 PolarHBondContact OD1-N 3.04Å; N254-S257 WeakPolarHBondContact O-CB 3.3Å; N254-S257 PolarHBondContact O-N 2.69Å; N254-S257 VanDerWaalsContact O-N 3.14Å; N254-S257 PolarHBondContact OD1-N 3.18Å; N254-S257 PolarHBondContact OD1-OG 3.05Å; N254-W258 PolarHBondContact O-N 3.12Å; N254-W258 VanDerWaalsContact O-N 3.1Å
255	G	98.5	Very high	96	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-52.3	-54.3	-177.5	0	0	0	0	0	112.2	S197 Y198 D201 S257 W258 Y259	S197-G255 WeakPolarHBondContact OG-CA 3.24Å; Y198-G255 PolarHBondContact O-N 3.3Å; D201-G255 WeakPolarHBondContact OD1-CA 3.41Å; G255-S257 VanDerWaalsContact C-N 3.34Å; G255-S257 PolarHBondContact O-N 2.75Å; G255-W258 WeakPolarHBondContact O-CB 3.43Å; G255-W258 PolarHBondContact O-N 2.95Å; G255-Y259 CarbonylContact O-C 3.54Å; G255-Y259 PolarHBondContact O-N 2.99Å
256	Y	98.3	Very high	96.9	Very high	47 Å²	47	38.9 Å²	38.9	18%	0.184	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-39	178.1	-164.3	-85.7	0	0	0	113.5	F200 N202 A209 N254 W258 P260	F200-Y256 PolarHBondContact O-N 3.47Å; N202-Y256 VanDerWaalsContact C-CD2 3.47Å; A209-Y256 HydrophobicContact CB-CE1 4.03Å; A209-Y256 HydrophobicContact CB-CE2 4.43Å; N254-Y256 PolarHBondContact O-N 2.79Å; N254-Y256 WeakPolarHBondContact OD1-CB 3.48Å; N254-Y256 PolarHBondContact OD1-N 3.04Å; Y256-W258 PolarHBondContact O-N 3.32Å; Y256-P260 HydrophobicContact CD1-CG 4.49Å; Y256-P260 HydrophobicContact CD2-CB 3.89Å; Y256-P260 HydrophobicContact CD2-CG 3.94Å; Y256-P260 HydrophobicContact CE1-CG 4.18Å; Y256-P260 HydrophobicContact CE2-CB 3.67Å; Y256-P260 HydrophobicContact CE2-CG 3.62Å; Y256-P260 HydrophobicContact CG-CG 4.38Å
257	S	97.9	Very high	97.4	Very high	48 Å²	48	34.1 Å²	34.1	34%	0.336	18%	0.183	S	C	.	.	H	α-helix	trans	-64.2	-27.4	176.3	-66.2	0	0	0	0	113.5	S212 N254 G255	S212-S257 VanDerWaalsContact O-CA 3.24Å; S212-S257 WeakPolarHBondContact O-CA 3.5Å; S212-S257 WeakPolarHBondContact O-CB 3.42Å; S212-S257 PolarHBondContact O-OG 3.37Å; N254-S257 WeakPolarHBondContact O-CB 3.3Å; N254-S257 PolarHBondContact O-N 2.69Å; N254-S257 VanDerWaalsContact O-N 3.14Å; N254-S257 PolarHBondContact OD1-N 3.18Å; N254-S257 PolarHBondContact OD1-OG 3.05Å; G255-S257 VanDerWaalsContact C-N 3.34Å; G255-S257 PolarHBondContact O-N 2.75Å
258	W	97.4	Very high	97.8	Very high	57 Å²	57	29.8 Å²	29.8	22%	0.216	16%	0.159	C	C	.	.	H	α-helix	trans	-80.3	-59.3	172.7	-179.7	17.8	0	0	0	110.9	A193 V195 F248 T253 N254 G255 Y256 E281	A193-W258 HydrophobicContact CB-CH2 3.67Å; A193-W258 HydrophobicContact CB-CZ2 3.78Å; V195-W258 HydrophobicContact CG1-CE3 4.4Å; V195-W258 HydrophobicContact CG1-CH2 4.36Å; V195-W258 HydrophobicContact CG1-CZ3 4.09Å; F248-W258 HydrophobicContact CE1-CB 4.34Å; F248-W258 AromaticContact CE1-CD1 3.73Å; F248-W258 HydrophobicContact CE1-CD2 4.01Å; F248-W258 AromaticContact CE1-CG 3.77Å; F248-W258 HydrophobicContact CE1-CG 3.77Å; F248-W258 AromaticContact CE1-NE1 3.98Å; F248-W258 AromaticContact CZ-CD1 3.84Å; F248-W258 AromaticContact CZ-CD2 3.94Å; F248-W258 HydrophobicContact CZ-CD2 3.94Å; F248-W258 AromaticContact CZ-CE2 3.63Å; F248-W258 HydrophobicContact CZ-CG 4.08Å; F248-W258 HydrophobicContact CZ-CZ2 4.15Å; F248-W258 AromaticContact CZ-NE1 3.58Å; T253-W258 HydrophobicContact CG2-CB 3.88Å; T253-W258 HydrophobicContact CG2-CD2 4.49Å; T253-W258 HydrophobicContact CG2-CE3 4.24Å; T253-W258 HydrophobicContact CG2-CG 4.39Å; N254-W258 PolarHBondContact O-N 3.12Å; N254-W258 VanDerWaalsContact O-N 3.1Å; G255-W258 WeakPolarHBondContact O-CB 3.43Å; G255-W258 PolarHBondContact O-N 2.95Å; Y256-W258 PolarHBondContact O-N 3.32Å; W258-E281 HydrophobicContact CH2-CG 3.89Å; W258-E281 HydrophobicContact CZ3-CG 3.96Å
259	Y	96.3	Very high	98	Very high	76 Å²	76	29.3 Å²	29.3	30%	0.298	16%	0.157	S	C	.	.			trans	-163	138.9	168.9	62.6	-86.7	0	0	0	110.3	G255 L261	G255-Y259 CarbonylContact O-C 3.54Å; G255-Y259 PolarHBondContact O-N 2.99Å; Y259-L261 HydrophobicContact CD2-CB 4.25Å; Y259-L261 HydrophobicContact CE2-CB 3.9Å; Y259-L261 HydrophobicContact CE2-CD1 3.84Å; Y259-L261 HydrophobicContact CE2-CG 4.26Å; Y259-L261 PolarHBondContact O-N 2.68Å
260	P	97.6	Very high	98.3	Very high	75 Å²	75	24.7 Å²	24.7	49%	0.487	13%	0.127	S	C	.	.			trans	-61	130.6	175.2	-24.1	34.5	0	0	0	112	D201 Y256	D201-P260 WeakPolarHBondContact O-CA 3.46Å; Y256-P260 HydrophobicContact CD1-CG 4.49Å; Y256-P260 HydrophobicContact CD2-CB 3.89Å; Y256-P260 HydrophobicContact CD2-CG 3.94Å; Y256-P260 HydrophobicContact CE1-CG 4.18Å; Y256-P260 HydrophobicContact CE2-CB 3.67Å; Y256-P260 HydrophobicContact CE2-CG 3.62Å; Y256-P260 HydrophobicContact CG-CG 4.38Å
261	L	98.4	Very high	98.3	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	10%	0.102	C	C	.	.			trans	-130.9	106.1	-175	177.6	165.6	0	0	0	110.4	N153 R154 D201 N202 Y259	N153-L261 WeakPolarHBondContact O-CD2 3.47Å; R154-L261 VanDerWaalsContact NH1-CG 3.27Å; D201-L261 HydrophobicContact CB-CB 3.96Å; D201-L261 HydrophobicContact CB-CD2 4.11Å; D201-L261 HydrophobicContact CB-CG 4.41Å; D201-L261 PolarHBondContact O-N 3.43Å; N202-L261 WeakPolarHBondContact CB-O 3.38Å; Y259-L261 HydrophobicContact CD2-CB 4.25Å; Y259-L261 HydrophobicContact CE2-CB 3.9Å; Y259-L261 HydrophobicContact CE2-CD1 3.84Å; Y259-L261 HydrophobicContact CE2-CG 4.26Å; Y259-L261 PolarHBondContact O-N 2.68Å
262	Q	98.6	Very high	98.4	Very high	58 Å²	58	21.1 Å²	21.1	27%	0.271	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	134.6	177.7	-175	-172.3	31.4	0	0	112	R154 D158 E161 N163	R154-Q262 WeakPolarHBondContact CA-O 3.3Å; R154-Q262 WeakPolarHBondContact CD-O 3.42Å; D158-Q262 HydrophobicContact CB-CG 4.11Å; D158-Q262 WeakPolarHBondContact OD2-CA 3.37Å; E161-Q262 HydrophobicContact CG-CG 3.99Å; E161-Q262 VanDerWaalsContact CG-NE2 3.29Å; E161-Q262 PolarHBondContact OE2-NE2 2.66Å; E161-Q262 VanDerWaalsContact OE2-NE2 3.12Å; N163-Q262 HydrophobicContact CB-CG 4.34Å
263	G	98.6	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	32	168	0	0	0	0	0	114.7	R154 N155 F156 D158	R154-G263 CarbonylContact C-O 2.85Å; R154-G263 VanDerWaalsContact C-O 3.28Å; R154-G263 WeakPolarHBondContact CA-O 3.22Å; N155-G263 PolarHBondContact N-O 3.34Å; N155-G263 VanDerWaalsContact N-O 3.16Å; F156-G263 WeakPolarHBondContact CB-O 3.34Å; F156-G263 PolarHBondContact N-O 3.28Å; F156-G263 VanDerWaalsContact O-CA 3.27Å; F156-G263 WeakPolarHBondContact O-CA 3.49Å; D158-G263 PolarHBondContact OD2-N 2.89Å
264	G	98.8	Very high	98.3	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.116	C	C	.	.			trans	-75.4	153.2	176	0	0	0	0	0	113.6	N153 Q266 Y268	N153-G264 VanDerWaalsContact OD1-CA 3.25Å; N153-G264 WeakPolarHBondContact OD1-CA 3.35Å; G264-Q266 VanDerWaalsContact C-N 3.3Å; G264-Y268 PolarHBondContact O-N 3.15Å
265	M	98.9	Very high	98.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.2	-33.1	176	-172.3	168.6	67.3	0	0	112.1	V79 M82 M125 N153 F156 V174 N188 Y268 N269 E277	V79-M265 HydrophobicContact CB-CE 4.06Å; V79-M265 HydrophobicContact CG1-CE 3.93Å; V79-M265 HydrophobicContact CG2-CE 4.47Å; M82-M265 HydrophobicContact CE-CB 4.06Å; M82-M265 HydrophobicContact CE-CE 4.15Å; M82-M265 HydrophobicContact CE-SD 4.28Å; M82-M265 HydrophobicContact SD-CE 4.11Å; M125-M265 HydrophobicContact CE-SD 4.34Å; M125-M265 HydrophobicContact SD-CE 4.38Å; M125-M265 HydrophobicContact SD-SD 3.87Å; N153-M265 PolarHBondContact OD1-N 3.39Å; F156-M265 HydrophobicContact CD2-CB 3.87Å; F156-M265 HydrophobicContact CD2-CG 4.42Å; F156-M265 HydrophobicContact CE1-CB 4.46Å; F156-M265 HydrophobicContact CE1-CG 3.99Å; F156-M265 HydrophobicContact CE2-CB 3.56Å; F156-M265 HydrophobicContact CE2-CG 3.79Å; F156-M265 HydrophobicContact CE2-SD 4.07Å; F156-M265 HydrophobicContact CG-CB 4.46Å; F156-M265 HydrophobicContact CZ-CB 3.87Å; F156-M265 HydrophobicContact CZ-CG 3.54Å; F156-M265 HydrophobicContact CZ-SD 3.68Å; V174-M265 HydrophobicContact CG1-SD 3.83Å; N188-M265 HydrophobicContact CB-CE 3.36Å; M265-Y268 PolarHBondContact O-N 3.32Å; M265-N269 PolarHBondContact O-N 3.25Å; M265-N269 PolarHBondContact O-ND2 2.76Å; M265-E277 WeakPolarHBondContact CE-OE1 3.41Å; M265-E277 WeakPolarHBondContact CG-OE1 3.41Å
266	Q	98.9	Very high	98.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-56.5	179.3	173.4	176.6	-77.5	0	0	111.7	S197 P199 D201 G264 Y268 N269 Y270 E277 I278 T279	S197-Q266 PolarHBondContact O-OE1 3.41Å; P199-Q266 HydrophobicContact CB-CG 4.47Å; P199-Q266 HydrophobicContact CG-CG 3.66Å; D201-Q266 PolarHBondContact OD1-NE2 3.02Å; D201-Q266 PolarHBondContact OD2-NE2 2.77Å; G264-Q266 VanDerWaalsContact C-N 3.3Å; Q266-Y268 VanDerWaalsContact C-N 3.3Å; Q266-Y268 PolarHBondContact O-N 3.46Å; Q266-N269 WeakPolarHBondContact O-CB 3.44Å; Q266-N269 PolarHBondContact O-N 3.19Å; Q266-Y270 PolarHBondContact O-N 2.73Å; Q266-E277 WeakPolarHBondContact CG-O 3.37Å; Q266-I278 VanDerWaalsContact OE1-C 3.32Å; Q266-T279 PolarHBondContact OE1-OG1 2.91Å
267	D	98.9	Very high	98.3	Very high	5 Å²	5	21 Å²	21	3%	0.027	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-36.3	178.4	-73.7	-4.2	0	0	0	111.3	F200 D201 N202 N269 Y270 I271	F200-D267 WeakPolarHBondContact CA-OD1 3.12Å; D201-D267 WeakPolarHBondContact CB-OD2 3.13Å; D201-D267 PolarHBondContact N-OD1 3.45Å; D201-D267 PolarHBondContact N-OD2 2.85Å; N202-D267 PolarHBondContact N-OD2 2.96Å; D267-N269 VanDerWaalsContact C-N 3.31Å; D267-N269 PolarHBondContact O-N 3.3Å; D267-Y270 PolarHBondContact O-N 3.32Å; D267-I271 WeakPolarHBondContact O-CB 3.32Å; D267-I271 WeakPolarHBondContact O-CG1 3.39Å; D267-I271 PolarHBondContact O-N 3.17Å
268	Y	98.8	Very high	98.3	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-59	-41.9	177.2	176.8	-89.8	0	0	0	112.7	F156 P157 M175 L178 G264 M265 Q266 W272 A273 M412	F156-Y268 HydrophobicContact CB-CD2 4.3Å; F156-Y268 HydrophobicContact CB-CG 4.26Å; F156-Y268 AromaticContact CD1-CD1 3.71Å; F156-Y268 HydrophobicContact CD1-CD1 3.71Å; F156-Y268 AromaticContact CD1-CD2 3.92Å; F156-Y268 HydrophobicContact CD1-CD2 3.92Å; F156-Y268 HydrophobicContact CD1-CE1 4.28Å; F156-Y268 HydrophobicContact CD1-CE2 4.46Å; F156-Y268 AromaticContact CD1-CG 3.52Å; F156-Y268 HydrophobicContact CD1-CG 3.52Å; F156-Y268 HydrophobicContact CE1-CD1 4.03Å; F156-Y268 HydrophobicContact CE1-CE1 4.43Å; F156-Y268 HydrophobicContact CE1-CG 4.3Å; F156-Y268 HydrophobicContact CG-CG 4.27Å; P157-Y268 HydrophobicContact CB-CD2 4.36Å; P157-Y268 HydrophobicContact CG-CD2 4.15Å; P157-Y268 HydrophobicContact CG-CE2 4.02Å; M175-Y268 HydrophobicContact CB-CE1 4.5Å; M175-Y268 HydrophobicContact CE-CE2 3.91Å; M175-Y268 HydrophobicContact CG-CE1 4.02Å; M175-Y268 HydrophobicContact CG-CE2 4.16Å; L178-Y268 HydrophobicContact CD1-CD1 3.78Å; L178-Y268 HydrophobicContact CD1-CE1 3.58Å; G264-Y268 PolarHBondContact O-N 3.15Å; M265-Y268 PolarHBondContact O-N 3.32Å; Q266-Y268 VanDerWaalsContact C-N 3.3Å; Q266-Y268 PolarHBondContact O-N 3.46Å; Y268-W272 HydrophobicContact CD2-CD2 4.15Å; Y268-W272 AromaticContact CD2-CE3 3.27Å; Y268-W272 HydrophobicContact CD2-CE3 3.27Å; Y268-W272 AromaticContact CD2-CZ3 3.76Å; Y268-W272 HydrophobicContact CD2-CZ3 3.76Å; Y268-W272 HydrophobicContact CE2-CB 4.18Å; Y268-W272 HydrophobicContact CE2-CD2 4.27Å; Y268-W272 AromaticContact CE2-CE3 3.83Å; Y268-W272 HydrophobicContact CE2-CE3 3.83Å; Y268-W272 HydrophobicContact CE2-CG 4.46Å; Y268-W272 AromaticContact CG-CE3 3.97Å; Y268-W272 HydrophobicContact CG-CE3 3.97Å; Y268-W272 HydrophobicContact CG-CZ3 4.47Å; Y268-W272 PolarHBondContact O-N 2.97Å; Y268-A273 PolarHBondContact O-N 3.39Å; Y268-M412 HydrophobicContact CE2-CE 3.95Å; Y268-M412 HydrophobicContact CE2-SD 4.14Å; Y268-M412 WeakPolarHBondContact OH-CE 3.36Å
269	N	98.8	Very high	98.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-47.8	179	-89.5	-89.2	0	0	0	112	K77 L178 M265 Q266 D267 A273 Q274 C275 E277	K77-N269 PolarHBondContact NZ-OD1 3.38Å; L178-N269 WeakPolarHBondContact CD2-OD1 3.15Å; M265-N269 PolarHBondContact O-N 3.25Å; M265-N269 PolarHBondContact O-ND2 2.76Å; Q266-N269 WeakPolarHBondContact O-CB 3.44Å; Q266-N269 PolarHBondContact O-N 3.19Å; D267-N269 VanDerWaalsContact C-N 3.31Å; D267-N269 PolarHBondContact O-N 3.3Å; N269-A273 CarbonylContact O-C 3.45Å; N269-A273 WeakPolarHBondContact O-CA 3.21Å; N269-A273 WeakPolarHBondContact O-CB 3.08Å; N269-A273 PolarHBondContact O-N 3.4Å; N269-A273 VanDerWaalsContact O-N 3.09Å; N269-Q274 PolarHBondContact O-N 3.32Å; N269-Q274 VanDerWaalsContact O-N 3.09Å; N269-C275 CarbonylContact C-O 3.54Å; N269-C275 HydrophobicContact CB-CB 4.33Å; N269-C275 WeakPolarHBondContact CB-O 3.49Å; N269-C275 PolarHBondContact O-N 3.5Å; N269-C275 VanDerWaalsContact O-N 3.09Å; N269-E277 HydrophobicContact CB-CB 3.7Å; N269-E277 PolarHBondContact ND2-OE1 2.97Å; N269-E277 PolarHBondContact ND2-OE2 2.86Å; N269-E277 VanDerWaalsContact ND2-OE2 3.07Å
270	Y	98.7	Very high	98.5	Very high	3 Å²	3	12.8 Å²	12.8	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-71.1	-36.7	-176.7	-177.2	-114.1	0	0	0	112.2	F200 T216 P217 D218 F222 Q266 D267 C275 F276 H339 Y343	F200-Y270 AromaticContact CE1-CD1 3.61Å; F200-Y270 HydrophobicContact CE1-CD1 3.61Å; F200-Y270 HydrophobicContact CE1-CE1 4Å; F200-Y270 AromaticContact CZ-CD1 3.9Å; F200-Y270 HydrophobicContact CZ-CD1 3.9Å; F200-Y270 AromaticContact CZ-CE1 3.79Å; F200-Y270 HydrophobicContact CZ-CE1 3.79Å; T216-Y270 HydrophobicContact CG2-CD1 4.06Å; T216-Y270 HydrophobicContact CG2-CE1 3.67Å; P217-Y270 WeakPolarHBondContact CD-OH 3.5Å; D218-Y270 PolarHBondContact OD2-OH 3.12Å; F222-Y270 AromaticContact CE2-CD2 3.75Å; F222-Y270 HydrophobicContact CE2-CD2 3.75Å; F222-Y270 HydrophobicContact CE2-CE1 4.47Å; F222-Y270 AromaticContact CE2-CE2 3.63Å; F222-Y270 HydrophobicContact CE2-CE2 3.63Å; F222-Y270 HydrophobicContact CE2-CG 4.23Å; F222-Y270 AromaticContact CZ-CD2 3.62Å; F222-Y270 HydrophobicContact CZ-CD2 3.62Å; F222-Y270 AromaticContact CZ-CE2 3.98Å; F222-Y270 HydrophobicContact CZ-CE2 3.98Å; F222-Y270 HydrophobicContact CZ-CG 4.06Å; Q266-Y270 PolarHBondContact O-N 2.73Å; D267-Y270 PolarHBondContact O-N 3.32Å; Y270-C275 WeakPolarHBondContact CA-O 3.26Å; Y270-C275 PolarHBondContact N-O 3.23Å; Y270-F276 AromaticContact CD2-CD1 3.9Å; Y270-F276 HydrophobicContact CD2-CD1 3.9Å; Y270-F276 AromaticContact CD2-CE1 3.86Å; Y270-F276 HydrophobicContact CD2-CE1 3.86Å; Y270-F276 HydrophobicContact CD2-CG 4.37Å; Y270-F276 HydrophobicContact CD2-CZ 4.33Å; Y270-F276 HydrophobicContact CE2-CD1 4.06Å; Y270-F276 AromaticContact CE2-CE1 3.55Å; Y270-F276 HydrophobicContact CE2-CE1 3.55Å; Y270-F276 HydrophobicContact CE2-CE2 4.22Å; Y270-F276 AromaticContact CE2-CZ 3.66Å; Y270-F276 HydrophobicContact CE2-CZ 3.66Å; Y270-H339 AromaticContact CE2-CD2 3.79Å; Y270-H339 AromaticContact CE2-NE2 3.78Å; Y270-H339 AromaticContact CZ-CD2 3.48Å; Y270-H339 VanDerWaalsContact CZ-CD2 3.48Å; Y270-H339 AromaticContact CZ-NE2 3.74Å; Y270-H339 PolarHBondContact OH-CD2 3.32Å; Y270-H339 VanDerWaalsContact OH-CD2 3.23Å; Y270-H339 PolarHBondContact OH-NE2 3.07Å; Y270-Y343 WeakPolarHBondContact CD2-OH 3.21Å; Y270-Y343 WeakPolarHBondContact CE2-OH 3.35Å; Y270-Y343 WeakPolarHBondContact O-CE1 3.49Å; Y270-Y343 PolarHBondContact O-OH 3.1Å
271	I	98.1	Very high	98.6	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.048	C	C	.	.	H	α-helix	trans	-79	-51.2	-177.1	-60.4	-70.7	0	0	0	112.5	A159 F200 D267 I340 C341 L415 Y416	A159-I271 HydrophobicContact CB-CD1 4.12Å; A159-I271 HydrophobicContact CB-CG1 3.98Å; A159-I271 HydrophobicContact CB-CG2 4.16Å; F200-I271 HydrophobicContact CE1-CD1 3.74Å; F200-I271 HydrophobicContact CE1-CG1 4.26Å; F200-I271 HydrophobicContact CZ-CD1 4.06Å; D267-I271 WeakPolarHBondContact O-CB 3.32Å; D267-I271 WeakPolarHBondContact O-CG1 3.39Å; D267-I271 PolarHBondContact O-N 3.17Å; I271-I340 HydrophobicContact CD1-CG2 3.53Å; I271-I340 HydrophobicContact CG2-CG2 4.1Å; I271-C341 VanDerWaalsContact O-CB 3.26Å; I271-C341 WeakPolarHBondContact O-CB 3.29Å; I271-L415 HydrophobicContact CG2-CD1 4.29Å; I271-Y416 HydrophobicContact CD1-CD2 4.41Å; I271-Y416 HydrophobicContact CD1-CE2 3.69Å
272	W	98.1	Very high	98.6	Very high	20 Å²	20	9.5 Å²	9.5	8%	0.076	5%	0.048	C	C	.	.	H	α-helix	trans	-113.2	-17.6	-169.9	-64.7	-77.9	0	0	0	114.5	P157 A159 Y268 P411 M412	P157-W272 HydrophobicContact CB-CH2 3.8Å; P157-W272 HydrophobicContact CB-CZ2 4.29Å; P157-W272 HydrophobicContact CB-CZ3 3.96Å; P157-W272 VanDerWaalsContact O-CZ3 3.23Å; P157-W272 WeakPolarHBondContact O-CZ3 3.32Å; A159-W272 HydrophobicContact CB-CH2 3.95Å; A159-W272 HydrophobicContact CB-CZ2 4.35Å; Y268-W272 HydrophobicContact CD2-CD2 4.15Å; Y268-W272 AromaticContact CD2-CE3 3.27Å; Y268-W272 HydrophobicContact CD2-CE3 3.27Å; Y268-W272 AromaticContact CD2-CZ3 3.76Å; Y268-W272 HydrophobicContact CD2-CZ3 3.76Å; Y268-W272 HydrophobicContact CE2-CB 4.18Å; Y268-W272 HydrophobicContact CE2-CD2 4.27Å; Y268-W272 AromaticContact CE2-CE3 3.83Å; Y268-W272 HydrophobicContact CE2-CE3 3.83Å; Y268-W272 HydrophobicContact CE2-CG 4.46Å; Y268-W272 AromaticContact CG-CE3 3.97Å; Y268-W272 HydrophobicContact CG-CE3 3.97Å; Y268-W272 HydrophobicContact CG-CZ3 4.47Å; Y268-W272 PolarHBondContact O-N 2.97Å; W272-P411 PolarHBondContact NE1-O 3.34Å; W272-M412 HydrophobicContact CD2-CG 4.31Å; W272-M412 HydrophobicContact CG-CG 4.23Å
273	A	97.4	Very high	98.6	Very high	18 Å²	18	6.8 Å²	6.8	15%	0.149	4%	0.035	C	C	.	.	S	Bend	trans	-102.4	-2.5	-179.2	0	0	0	0	0	113.9	L178 Y268 N269 C275	L178-A273 HydrophobicContact CB-CB 4.05Å; L178-A273 HydrophobicContact CD1-CB 4.18Å; L178-A273 HydrophobicContact CD2-CB 4.11Å; L178-A273 HydrophobicContact CG-CB 4.35Å; Y268-A273 PolarHBondContact O-N 3.39Å; N269-A273 CarbonylContact O-C 3.45Å; N269-A273 WeakPolarHBondContact O-CA 3.21Å; N269-A273 WeakPolarHBondContact O-CB 3.08Å; N269-A273 PolarHBondContact O-N 3.4Å; N269-A273 VanDerWaalsContact O-N 3.09Å; A273-C275 HydrophobicContact CB-CB 4.4Å; A273-C275 PolarHBondContact O-N 2.97Å
274	Q	97.6	Very high	98.5	Very high	61 Å²	61	8.7 Å²	8.7	29%	0.285	5%	0.047	S	C	.	.			trans	53.4	33.4	-176	-54.2	-179.1	175.6	0	0	113.4	N269 Y343 R344	N269-Q274 PolarHBondContact O-N 3.32Å; N269-Q274 VanDerWaalsContact O-N 3.09Å; Q274-Y343 HydrophobicContact CB-CD1 4.25Å; Q274-Y343 HydrophobicContact CB-CD2 4.12Å; Q274-Y343 HydrophobicContact CB-CE1 4.14Å; Q274-Y343 HydrophobicContact CB-CE2 3.98Å; Q274-Y343 HydrophobicContact CB-CG 4.24Å; Q274-Y343 HydrophobicContact CG-CD1 3.82Å; Q274-Y343 HydrophobicContact CG-CD2 4.41Å; Q274-Y343 HydrophobicContact CG-CE1 4.02Å; Q274-Y343 HydrophobicContact CG-CG 4.03Å; Q274-R344 PolarHBondContact NE2-O 3.08Å
275	C	98.3	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.			trans	-123.8	131	-175.3	178.9	0	0	0	0	109.3	F183 N269 Y270 A273 E277	F183-C275 HydrophobicContact CB-CB 3.99Å; F183-C275 VanDerWaalsContact O-CB 3.29Å; F183-C275 WeakPolarHBondContact O-CB 3.27Å; N269-C275 CarbonylContact C-O 3.54Å; N269-C275 HydrophobicContact CB-CB 4.33Å; N269-C275 WeakPolarHBondContact CB-O 3.49Å; N269-C275 PolarHBondContact O-N 3.5Å; N269-C275 VanDerWaalsContact O-N 3.09Å; Y270-C275 WeakPolarHBondContact CA-O 3.26Å; Y270-C275 PolarHBondContact N-O 3.23Å; A273-C275 HydrophobicContact CB-CB 4.4Å; A273-C275 PolarHBondContact O-N 2.97Å; C275-E277 PolarHBondContact O-N 3.47Å
276	F	98.9	Very high	98.4	Very high	8 Å²	8	11 Å²	11	4%	0.035	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.4	177.7	-77.4	43.7	0	0	0	107.9	V184 L185 S186 D218 V221 F222 L225 Y270 Y343 L354	V184-F276 PolarHBondContact O-N 3.17Å; L185-F276 CarbonylContact C-O 3.46Å; L185-F276 HydrophobicContact CD1-CB 4.07Å; S186-F276 PolarHBondContact N-O 2.9Å; D218-F276 HydrophobicContact CB-CE2 3.57Å; D218-F276 HydrophobicContact CB-CZ 3.76Å; V221-F276 HydrophobicContact CB-CE2 4.25Å; V221-F276 HydrophobicContact CG1-CD2 4.14Å; V221-F276 HydrophobicContact CG1-CE2 3.94Å; F222-F276 HydrophobicContact CD1-CD2 4.35Å; F222-F276 HydrophobicContact CD2-CD2 4.27Å; F222-F276 HydrophobicContact CD2-CE2 4.34Å; F222-F276 HydrophobicContact CE1-CB 3.86Å; F222-F276 AromaticContact CE1-CD2 3.79Å; F222-F276 HydrophobicContact CE1-CD2 3.79Å; F222-F276 HydrophobicContact CE1-CG 4.06Å; F222-F276 AromaticContact CE2-CD2 3.71Å; F222-F276 HydrophobicContact CE2-CD2 3.71Å; F222-F276 AromaticContact CE2-CE2 3.85Å; F222-F276 HydrophobicContact CE2-CE2 3.85Å; F222-F276 HydrophobicContact CE2-CG 4.31Å; F222-F276 HydrophobicContact CZ-CB 3.9Å; F222-F276 HydrophobicContact CZ-CD1 4.43Å; F222-F276 AromaticContact CZ-CD2 3.44Å; F222-F276 HydrophobicContact CZ-CD2 3.44Å; F222-F276 VanDerWaalsContact CZ-CD2 3.44Å; F222-F276 HydrophobicContact CZ-CE2 4.06Å; F222-F276 AromaticContact CZ-CG 3.67Å; F222-F276 HydrophobicContact CZ-CG 3.67Å; L225-F276 HydrophobicContact CD1-CB 4.41Å; L225-F276 HydrophobicContact CD1-CD2 4.19Å; Y270-F276 AromaticContact CD2-CD1 3.9Å; Y270-F276 HydrophobicContact CD2-CD1 3.9Å; Y270-F276 AromaticContact CD2-CE1 3.86Å; Y270-F276 HydrophobicContact CD2-CE1 3.86Å; Y270-F276 HydrophobicContact CD2-CG 4.37Å; Y270-F276 HydrophobicContact CD2-CZ 4.33Å; Y270-F276 HydrophobicContact CE2-CD1 4.06Å; Y270-F276 AromaticContact CE2-CE1 3.55Å; Y270-F276 HydrophobicContact CE2-CE1 3.55Å; Y270-F276 HydrophobicContact CE2-CE2 4.22Å; Y270-F276 AromaticContact CE2-CZ 3.66Å; Y270-F276 HydrophobicContact CE2-CZ 3.66Å; F276-Y343 AromaticContact CE1-CE2 3.91Å; F276-Y343 HydrophobicContact CE1-CE2 3.91Å; F276-L354 HydrophobicContact CB-CD1 3.86Å; F276-L354 HydrophobicContact CD1-CD1 4.33Å; F276-L354 HydrophobicContact CD2-CB 4.44Å; F276-L354 HydrophobicContact CD2-CD1 4.07Å; F276-L354 HydrophobicContact CE2-CB 4.34Å; F276-L354 HydrophobicContact CG-CD1 3.84Å
277	E	98.9	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139	175.9	-169.4	163.2	103.1	0	0	110.4	K77 S186 N188 P199 M265 Q266 N269 C275	K77-E277 IonicContact NZ-OE2 3.87Å; K77-E277 PolarHBondContact NZ-OE2 2.87Å; S186-E277 WeakPolarHBondContact CB-OE2 3.18Å; S186-E277 WeakPolarHBondContact O-CA 3.33Å; S186-E277 PolarHBondContact OG-OE2 3.48Å; N188-E277 PolarHBondContact ND2-OE1 3.37Å; P199-E277 WeakPolarHBondContact CD-O 3.49Å; P199-E277 WeakPolarHBondContact CG-O 3.45Å; M265-E277 WeakPolarHBondContact CE-OE1 3.41Å; M265-E277 WeakPolarHBondContact CG-OE1 3.41Å; Q266-E277 WeakPolarHBondContact CG-O 3.37Å; N269-E277 HydrophobicContact CB-CB 3.7Å; N269-E277 PolarHBondContact ND2-OE1 2.97Å; N269-E277 PolarHBondContact ND2-OE2 2.86Å; N269-E277 VanDerWaalsContact ND2-OE2 3.07Å; C275-E277 PolarHBondContact O-N 3.47Å
278	I	98.9	Very high	98.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	161.8	165.2	75.3	177.2	0	0	0	110.2	S186 A187 N188 S197 F222 A226 Q266 L280 Y307	S186-I278 PolarHBondContact O-N 2.95Å; A187-I278 CarbonylContact C-O 3.55Å; A187-I278 WeakPolarHBondContact CA-O 3.22Å; A187-I278 HydrophobicContact CB-CG1 3.97Å; A187-I278 WeakPolarHBondContact CB-O 3.41Å; N188-I278 PolarHBondContact N-O 3.45Å; S197-I278 WeakPolarHBondContact O-CB 3.24Å; F222-I278 HydrophobicContact CD1-CG2 3.79Å; F222-I278 HydrophobicContact CE1-CG2 4.2Å; A226-I278 HydrophobicContact CB-CD1 4.49Å; Q266-I278 VanDerWaalsContact OE1-C 3.32Å; I278-L280 HydrophobicContact CD1-CD2 3.66Å; I278-L280 HydrophobicContact CD1-CG 4.36Å; I278-L280 HydrophobicContact CG1-CD2 4.02Å; I278-L280 HydrophobicContact CG1-CG 4.21Å; I278-Y307 HydrophobicContact CD1-CD2 4.18Å; I278-Y307 HydrophobicContact CD1-CE2 3.31Å; I278-Y307 HydrophobicContact CG1-CE2 3.95Å; I278-Y307 WeakPolarHBondContact CG1-OH 3.45Å
279	T	98.9	Very high	98.3	Very high	8 Å²	8	18.3 Å²	18.3	5%	0.049	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.9	177.5	-59.9	0	0	0	0	109.3	N188 H190 S197 Q266	N188-T279 PolarHBondContact ND2-OG1 3.09Å; N188-T279 WeakPolarHBondContact O-CA 3.39Å; N188-T279 WeakPolarHBondContact OD1-CG2 3.43Å; N188-T279 PolarHBondContact OD1-OG1 2.87Å; H190-T279 HydrophobicContact CB-CG2 4.36Å; S197-T279 PolarHBondContact N-O 2.85Å; S197-T279 PolarHBondContact O-N 3.35Å; Q266-T279 PolarHBondContact OE1-OG1 2.91Å
280	L	98.9	Very high	98.3	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	105.1	-178.6	-63.4	174.9	0	0	0	109.9	Y78 A187 N188 L189 H190 A196 Y229 I278 L282	Y78-L280 HydrophobicContact CE1-CD1 4.16Å; A187-L280 HydrophobicContact CB-CD1 3.57Å; A187-L280 HydrophobicContact CB-CG 3.9Å; N188-L280 PolarHBondContact O-N 3.02Å; L189-L280 HydrophobicContact CD1-CD1 4.36Å; L189-L280 HydrophobicContact CG-CB 4.45Å; L189-L280 HydrophobicContact CG-CD1 4.42Å; H190-L280 PolarHBondContact N-O 2.97Å; A196-L280 HydrophobicContact CB-CD2 3.86Å; Y229-L280 HydrophobicContact CD1-CD1 4.49Å; Y229-L280 HydrophobicContact CD1-CD2 3.68Å; Y229-L280 HydrophobicContact CD2-CD1 3.54Å; Y229-L280 HydrophobicContact CD2-CD2 3.86Å; Y229-L280 HydrophobicContact CD2-CG 4.35Å; Y229-L280 HydrophobicContact CE1-CD1 4.38Å; Y229-L280 HydrophobicContact CE1-CD2 4.16Å; Y229-L280 HydrophobicContact CE2-CD1 3.41Å; Y229-L280 VanDerWaalsContact CE2-CD1 3.41Å; Y229-L280 HydrophobicContact CE2-CD2 4.33Å; Y229-L280 HydrophobicContact CE2-CG 4.45Å; Y229-L280 HydrophobicContact CG-CD1 4.1Å; Y229-L280 HydrophobicContact CG-CD2 3.52Å; Y229-L280 HydrophobicContact CG-CG 4.45Å; I278-L280 HydrophobicContact CD1-CD2 3.66Å; I278-L280 HydrophobicContact CD1-CG 4.36Å; I278-L280 HydrophobicContact CG1-CD2 4.02Å; I278-L280 HydrophobicContact CG1-CG 4.21Å; L280-L282 HydrophobicContact CB-CD2 3.74Å; L280-L282 HydrophobicContact CB-CG 4.29Å; L280-L282 WeakPolarHBondContact O-CG 3.36Å; L280-L282 PolarHBondContact O-N 3.21Å
281	E	98.8	Very high	98.3	Very high	10 Å²	10	28.1 Å²	28.1	5%	0.047	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	107.8	173.4	-70.2	-78.6	-177.2	0	0	109.2	H190 G191 G192 A193 L194 V195 M236 W258	H190-E281 VanDerWaalsContact CB-CD 3.48Å; H190-E281 HydrophobicContact CB-CG 4.26Å; G191-E281 WeakPolarHBondContact CA-OE2 3.34Å; G191-E281 PolarHBondContact N-OE2 3.14Å; G192-E281 PolarHBondContact N-OE2 3.13Å; A193-E281 HydrophobicContact CB-CB 3.85Å; A193-E281 HydrophobicContact CB-CG 3.95Å; A193-E281 PolarHBondContact N-OE2 3.44Å; A193-E281 VanDerWaalsContact N-OE2 3.1Å; A193-E281 CarbonylContact O-C 3.59Å; L194-E281 VanDerWaalsContact CA-O 3.31Å; L194-E281 WeakPolarHBondContact CA-O 3.4Å; V195-E281 HydrophobicContact CG1-CB 3.93Å; V195-E281 HydrophobicContact CG1-CG 4.04Å; V195-E281 PolarHBondContact N-O 3.23Å; V195-E281 VanDerWaalsContact N-O 3.15Å; V195-E281 VanDerWaalsContact O-CB 3.29Å; V195-E281 WeakPolarHBondContact O-CB 3.48Å; V195-E281 PolarHBondContact O-N 2.76Å; M236-E281 WeakPolarHBondContact CE-O 3.49Å; W258-E281 HydrophobicContact CH2-CG 3.89Å; W258-E281 HydrophobicContact CZ3-CG 3.96Å
282	L	98.7	Very high	98.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-7.8	-163.1	-57.7	-175.6	0	0	0	114.5	V88 L92 L189 H190 L194 Y229 M236 L280	V88-L282 HydrophobicContact CG1-CB 4.08Å; L92-L282 HydrophobicContact CD1-CD1 3.46Å; L92-L282 VanDerWaalsContact CD1-CD1 3.46Å; L189-L282 HydrophobicContact CB-CD1 3.98Å; L189-L282 HydrophobicContact CD2-CD1 3.63Å; L189-L282 HydrophobicContact CG-CD1 3.81Å; H190-L282 PolarHBondContact O-N 3.48Å; L194-L282 VanDerWaalsContact CD1-C 3.46Å; L194-L282 WeakPolarHBondContact CD1-O 3.34Å; Y229-L282 HydrophobicContact CE1-CD2 3.73Å; Y229-L282 WeakPolarHBondContact OH-CD2 3.49Å; M236-L282 HydrophobicContact CE-CD2 4.14Å; L280-L282 HydrophobicContact CB-CD2 3.74Å; L280-L282 HydrophobicContact CB-CG 4.29Å; L280-L282 WeakPolarHBondContact O-CG 3.36Å; L280-L282 PolarHBondContact O-N 3.21Å
283	S	98.3	Very high	98.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	15%	0.15	C	C	.	.			trans	-160.7	132.5	-171.8	57.7	0	0	0	0	112.4	V88 G192 A193 C285	V88-S283 WeakPolarHBondContact CG2-OG 3.45Å; G192-S283 PolarHBondContact N-O 2.92Å; A193-S283 PolarHBondContact N-O 3.17Å; A193-S283 CarbonylContact O-C 3.03Å; A193-S283 PolarHBondContact O-N 3.27Å; A193-S283 VanDerWaalsContact O-N 3.1Å; S283-C285 VanDerWaalsContact C-N 3.26Å; S283-C285 WeakPolarHBondContact CB-O 3.25Å; S283-C285 PolarHBondContact O-N 3.12Å; S283-C285 PolarHBondContact OG-O 2.82Å; S283-C285 VanDerWaalsContact OG-O 3.09Å
284	C	97.1	Very high	98.4	Very high	39 Å²	39	33.5 Å²	33.5	26%	0.264	16%	0.16	S	C	.	.	S	Bend	trans	-63.4	-35	174.7	-53	0	0	0	0	112.7	C242 K245	C242-C284 WeakPolarHBondContact CA-SG 3.2Å; C242-C284 HydrophobicContact CB-CB 3.81Å; C242-C284 WeakPolarHBondContact CB-SG 3.5Å; C242-C284 WeakPolarHBondContact SG-CA 3.44Å; C242-C284 WeakPolarHBondContact SG-CB 3.44Å; C242-C284 CovalentContact SG-SG 2.03Å; C242-C284 PolarHBondContact SG-SG 3.49Å; K245-C284 PolarHBondContact NZ-O 2.99Å
285	C	97.7	Very high	98.5	Very high	21 Å²	21	33.7 Å²	33.7	14%	0.142	17%	0.168	C	C	.	.	S	Bend	trans	-96.7	117.9	176.8	176.1	0	0	0	0	108.3	C138 S283 P288	C138-C285 WeakPolarHBondContact CA-SG 3.43Å; C138-C285 HydrophobicContact CB-CB 3.67Å; C138-C285 WeakPolarHBondContact CB-SG 3.27Å; C138-C285 WeakPolarHBondContact SG-CB 3.42Å; C138-C285 CovalentContact SG-SG 2.04Å; C138-C285 PolarHBondContact SG-SG 2.99Å; S283-C285 VanDerWaalsContact C-N 3.26Å; S283-C285 WeakPolarHBondContact CB-O 3.25Å; S283-C285 PolarHBondContact O-N 3.12Å; S283-C285 PolarHBondContact OG-O 2.82Å; S283-C285 VanDerWaalsContact OG-O 3.09Å; C285-P288 WeakPolarHBondContact O-CD 3.36Å
286	K	98.1	Very high	98.5	Very high	30 Å²	30	35.5 Å²	35.5	13%	0.13	18%	0.176	C	C	.	.	S	Bend	trans	-60.7	-46.2	-175.5	-67.5	-178.4	170.1	173.7	0	113.2	D85 E86 T87 C138 Y139 P288	D85-K286 CarbonylContact O-C 3.5Å; D85-K286 WeakPolarHBondContact O-CB 3.47Å; D85-K286 VanDerWaalsContact O-O 3.05Å; E86-K286 HydrophobicContact CG-CB 4.31Å; E86-K286 HydrophobicContact CG-CD 4.21Å; E86-K286 HydrophobicContact CG-CG 4.13Å; T87-K286 PolarHBondContact N-O 2.98Å; T87-K286 PolarHBondContact OG1-O 2.91Å; C138-K286 WeakPolarHBondContact O-CG 3.43Å; C138-K286 PolarHBondContact O-N 3.35Å; Y139-K286 PolarHBondContact O-NZ 3.26Å; Y139-K286 VanDerWaalsContact O-NZ 3.08Å; K286-P288 WeakPolarHBondContact O-CD 3.4Å
287	Y	98.4	Very high	98.5	Very high	11 Å²	11	36.7 Å²	36.7	4%	0.043	18%	0.18	C	C	.	.	S	Bend	trans	-122.4	81	178.7	-152.1	-34.5	0	0	0	110.3	Y22 T87 F130 V133 P136 D137	Y22-Y287 HydrophobicContact CD1-CE1 4.07Å; Y22-Y287 AromaticContact CD2-CE1 3.62Å; Y22-Y287 HydrophobicContact CD2-CE1 3.62Å; Y22-Y287 HydrophobicContact CE1-CD1 4.27Å; Y22-Y287 AromaticContact CE1-CE1 3.8Å; Y22-Y287 HydrophobicContact CE1-CE1 3.8Å; Y22-Y287 AromaticContact CE2-CD1 3.84Å; Y22-Y287 HydrophobicContact CE2-CD1 3.84Å; Y22-Y287 AromaticContact CE2-CE1 3.33Å; Y22-Y287 HydrophobicContact CE2-CE1 3.33Å; Y22-Y287 AromaticContact CG-CE1 4Å; Y22-Y287 HydrophobicContact CG-CE1 4Å; Y22-Y287 AromaticContact CZ-CD1 3.65Å; Y22-Y287 AromaticContact CZ-CE1 3.4Å; T87-Y287 HydrophobicContact CG2-CD1 3.82Å; T87-Y287 HydrophobicContact CG2-CD2 3.41Å; T87-Y287 VanDerWaalsContact CG2-CD2 3.41Å; T87-Y287 HydrophobicContact CG2-CE1 3.9Å; T87-Y287 HydrophobicContact CG2-CE2 3.5Å; T87-Y287 HydrophobicContact CG2-CG 3.57Å; T87-Y287 WeakPolarHBondContact OG1-CD1 3.32Å; F130-Y287 HydrophobicContact CE2-CE2 4.45Å; V133-Y287 HydrophobicContact CB-CD2 4.27Å; V133-Y287 HydrophobicContact CB-CE2 3.91Å; V133-Y287 HydrophobicContact CG1-CD2 3.76Å; V133-Y287 HydrophobicContact CG1-CE2 3.73Å; V133-Y287 HydrophobicContact CG2-CD2 4.47Å; V133-Y287 HydrophobicContact CG2-CE2 4.42Å; P136-Y287 HydrophobicContact CB-CD1 3.68Å; P136-Y287 HydrophobicContact CB-CD2 4.19Å; P136-Y287 HydrophobicContact CB-CE1 4.04Å; P136-Y287 HydrophobicContact CB-CG 3.76Å; P136-Y287 HydrophobicContact CG-CD1 4.14Å; P136-Y287 HydrophobicContact CG-CE1 3.96Å; P136-Y287 HydrophobicContact CG-CE2 4.42Å; P136-Y287 HydrophobicContact CG-CG 4.44Å; D137-Y287 VanDerWaalsContact O-CB 3.28Å; D137-Y287 WeakPolarHBondContact O-CB 3.44Å; D137-Y287 PolarHBondContact O-N 3.17Å
288	P	98.3	Very high	98.5	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.019	21%	0.209	C	C	.	.			trans	-70.4	171.6	179.4	29.6	-33.1	0	0	0	112.3	Y22 V88 C285 K286 K292 F296	Y22-P288 WeakPolarHBondContact CE2-O 3.32Å; Y22-P288 VanDerWaalsContact OH-CD 3.32Å; Y22-P288 WeakPolarHBondContact OH-CD 3.34Å; Y22-P288 WeakPolarHBondContact OH-CG 3.49Å; Y22-P288 PolarHBondContact OH-O 3.26Å; V88-P288 HydrophobicContact CG2-CG 3.51Å; C285-P288 WeakPolarHBondContact O-CD 3.36Å; K286-P288 WeakPolarHBondContact O-CD 3.4Å; P288-K292 HydrophobicContact CB-CD 4.29Å; P288-F296 HydrophobicContact CB-CE2 3.72Å; P288-F296 HydrophobicContact CB-CZ 4.2Å; P288-F296 HydrophobicContact CG-CD2 4.22Å; P288-F296 HydrophobicContact CG-CE2 3.42Å; P288-F296 VanDerWaalsContact CG-CE2 3.42Å; P288-F296 HydrophobicContact CG-CZ 3.97Å
289	R	98.2	Very high	98.5	Very high	146 Å²	146	43.3 Å²	43.3	55%	0.551	22%	0.215	S	C	*	.			trans	-74.7	146.2	172.5	-63.5	-175.1	-67.1	132	6.7	110.5	E291 K292	R289-E291 VanDerWaalsContact C-N 3.25Å; R289-E291 HydrophobicContact CB-CG 4.01Å; R289-E291 IonicContact CZ-OE1 2.9Å; R289-E291 IonicContact CZ-OE2 3.46Å; R289-E291 IonicContact NE-OE1 3.89Å; R289-E291 IonicContact NH1-OE1 2.81Å; R289-E291 PolarHBondContact NH1-OE1 2.97Å; R289-E291 IonicContact NH1-OE2 2.7Å; R289-E291 PolarHBondContact NH1-OE2 2.86Å; R289-E291 IonicContact NH2-OE1 2.63Å; R289-E291 PolarHBondContact NH2-OE1 3.29Å; R289-E291 IonicContact NH2-OE2 3.96Å; R289-E291 PolarHBondContact O-N 2.79Å; R289-K292 WeakPolarHBondContact O-CB 3.42Å; R289-K292 PolarHBondContact O-N 2.8Å
290	E	98.1	Very high	98.5	Very high	82 Å²	82	43 Å²	43	38%	0.383	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-52.5	-39.8	-176.2	-70.3	176.7	153.8	0	0	113.6	Y22 K292 L293	Y22-E290 HydrophobicContact CD2-CG 3.26Å; Y22-E290 HydrophobicContact CE2-CG 3.59Å; Y22-E290 HydrophobicContact CG-CG 4.25Å; Y22-E290 PolarHBondContact N-OE1 2.75Å; Y22-E290 VanDerWaalsContact N-OE1 3.1Å; E290-K292 PolarHBondContact O-N 2.91Å; E290-L293 HydrophobicContact CB-CD1 4.34Å; E290-L293 HydrophobicContact CG-CD1 4.41Å; E290-L293 VanDerWaalsContact O-CB 3.28Å; E290-L293 WeakPolarHBondContact O-CB 3.17Å; E290-L293 VanDerWaalsContact O-CG 3.3Å; E290-L293 WeakPolarHBondContact O-CG 3.41Å; E290-L293 PolarHBondContact O-N 3.42Å
291	E	98.4	Very high	98.4	Very high	128 Å²	128	46.3 Å²	46.3	60%	0.598	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-54.4	-17.3	176.6	64.5	-173.7	-129.5	0	0	114.7	R289	R289-E291 VanDerWaalsContact C-N 3.25Å; R289-E291 HydrophobicContact CB-CG 4.01Å; R289-E291 IonicContact CZ-OE1 2.9Å; R289-E291 IonicContact CZ-OE2 3.46Å; R289-E291 IonicContact NE-OE1 3.89Å; R289-E291 IonicContact NH1-OE1 2.81Å; R289-E291 PolarHBondContact NH1-OE1 2.97Å; R289-E291 IonicContact NH1-OE2 2.7Å; R289-E291 PolarHBondContact NH1-OE2 2.86Å; R289-E291 IonicContact NH2-OE1 2.63Å; R289-E291 PolarHBondContact NH2-OE1 3.29Å; R289-E291 IonicContact NH2-OE2 3.96Å; R289-E291 PolarHBondContact O-N 2.79Å
292	K	98.4	Very high	98.4	Very high	96 Å²	96	48.2 Å²	48.2	42%	0.417	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-90.4	-16.3	176.5	-62.1	-171.2	175.6	-176.9	0	113.6	P288 R289 E290 P294 S295 F296	P288-K292 HydrophobicContact CB-CD 4.29Å; R289-K292 WeakPolarHBondContact O-CB 3.42Å; R289-K292 PolarHBondContact O-N 2.8Å; E290-K292 PolarHBondContact O-N 2.91Å; K292-P294 VanDerWaalsContact C-CD 3.47Å; K292-S295 WeakPolarHBondContact O-CB 3.16Å; K292-S295 PolarHBondContact O-N 2.82Å; K292-F296 HydrophobicContact CB-CD2 4Å; K292-F296 HydrophobicContact CB-CE2 3.68Å; K292-F296 HydrophobicContact CD-CE2 4.5Å; K292-F296 VanDerWaalsContact O-CD2 3.26Å; K292-F296 WeakPolarHBondContact O-CD2 3.02Å; K292-F296 PolarHBondContact O-N 3.17Å
293	L	98.8	Very high	98.5	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-42	-177.6	-64.7	172.9	0	0	0	113	F20 Y22 E91 E290 S295 F296 W297	F20-L293 HydrophobicContact CB-CB 4.32Å; F20-L293 HydrophobicContact CD1-CB 3.9Å; Y22-L293 HydrophobicContact CE1-CD1 4.4Å; Y22-L293 HydrophobicContact CE1-CD2 4.1Å; Y22-L293 HydrophobicContact CE2-CD1 4.46Å; E91-L293 HydrophobicContact CB-CD2 4.04Å; E91-L293 HydrophobicContact CG-CD1 4.24Å; E91-L293 HydrophobicContact CG-CD2 3.98Å; E290-L293 HydrophobicContact CB-CD1 4.34Å; E290-L293 HydrophobicContact CG-CD1 4.41Å; E290-L293 VanDerWaalsContact O-CB 3.28Å; E290-L293 WeakPolarHBondContact O-CB 3.17Å; E290-L293 VanDerWaalsContact O-CG 3.3Å; E290-L293 WeakPolarHBondContact O-CG 3.41Å; E290-L293 PolarHBondContact O-N 3.42Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 2.82Å; L293-F296 PolarHBondContact O-N 2.9Å; L293-F296 VanDerWaalsContact O-N 3.14Å; L293-W297 PolarHBondContact O-N 3.26Å
294	P	98.7	Very high	98.5	Very high	54 Å²	54	48.1 Å²	48.1	35%	0.351	25%	0.245	S	C	.	.	H	α-helix	trans	-59	-38.8	174.9	-23.4	32.9	0	0	0	113	F20 K292 W297 N298	F20-P294 HydrophobicContact CB-CG 3.75Å; F20-P294 HydrophobicContact CD1-CB 4.34Å; F20-P294 HydrophobicContact CD1-CG 4Å; F20-P294 HydrophobicContact CD2-CB 4.4Å; F20-P294 HydrophobicContact CD2-CG 4.04Å; F20-P294 HydrophobicContact CG-CB 4.28Å; F20-P294 HydrophobicContact CG-CG 3.66Å; K292-P294 VanDerWaalsContact C-CD 3.47Å; P294-W297 PolarHBondContact O-N 3.48Å; P294-N298 WeakPolarHBondContact O-CB 3.39Å; P294-N298 PolarHBondContact O-N 3.29Å
295	S	98.6	Very high	98.6	Very high	65 Å²	65	46.9 Å²	46.9	46%	0.455	24%	0.235	S	C	.	.	H	α-helix	trans	-69.8	-38.2	177.2	-178.6	0	0	0	0	111.9	K292 L293 N298 N299	K292-S295 WeakPolarHBondContact O-CB 3.16Å; K292-S295 PolarHBondContact O-N 2.82Å; L293-S295 VanDerWaalsContact C-N 3.28Å; L293-S295 PolarHBondContact O-N 2.82Å; S295-N298 PolarHBondContact O-N 3.03Å; S295-N299 WeakPolarHBondContact O-CB 3.26Å; S295-N299 PolarHBondContact O-N 3.36Å; S295-N299 PolarHBondContact O-ND2 3.43Å; S295-N299 PolarHBondContact OG-ND2 3.36Å
296	F	98.8	Very high	98.6	Very high	38 Å²	38	48.1 Å²	48.1	17%	0.167	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-44.7	174.6	-76	-65.6	0	0	0	111	V88 L92 P288 K292 L293 N299 N300	V88-F296 HydrophobicContact CG1-CB 3.91Å; V88-F296 HydrophobicContact CG1-CD1 3.8Å; V88-F296 HydrophobicContact CG1-CD2 4.39Å; V88-F296 HydrophobicContact CG1-CE1 4.43Å; V88-F296 HydrophobicContact CG1-CG 3.78Å; V88-F296 HydrophobicContact CG2-CD1 4.31Å; V88-F296 HydrophobicContact CG2-CD2 4.04Å; V88-F296 HydrophobicContact CG2-CE1 4.26Å; V88-F296 HydrophobicContact CG2-CE2 4Å; V88-F296 HydrophobicContact CG2-CG 4.21Å; V88-F296 HydrophobicContact CG2-CZ 4.1Å; L92-F296 HydrophobicContact CD2-CB 4.39Å; P288-F296 HydrophobicContact CB-CE2 3.72Å; P288-F296 HydrophobicContact CB-CZ 4.2Å; P288-F296 HydrophobicContact CG-CD2 4.22Å; P288-F296 HydrophobicContact CG-CE2 3.42Å; P288-F296 VanDerWaalsContact CG-CE2 3.42Å; P288-F296 HydrophobicContact CG-CZ 3.97Å; K292-F296 HydrophobicContact CB-CD2 4Å; K292-F296 HydrophobicContact CB-CE2 3.68Å; K292-F296 HydrophobicContact CD-CE2 4.5Å; K292-F296 VanDerWaalsContact O-CD2 3.26Å; K292-F296 WeakPolarHBondContact O-CD2 3.02Å; K292-F296 PolarHBondContact O-N 3.17Å; L293-F296 PolarHBondContact O-N 2.9Å; L293-F296 VanDerWaalsContact O-N 3.14Å; F296-N299 PolarHBondContact O-N 3.12Å; F296-N300 WeakPolarHBondContact O-CB 3.37Å; F296-N300 PolarHBondContact O-N 3.3Å; F296-N300 VanDerWaalsContact O-N 3.15Å; F296-N300 PolarHBondContact O-ND2 2.71Å
297	W	98.9	Very high	98.7	Very high	33 Å²	33	46.7 Å²	46.7	13%	0.125	23%	0.233	C	C	.	.	H	α-helix	trans	-58.3	-50.8	174.3	171.7	-115.8	0	0	0	111.8	F20 L92 H95 L96 Y99 L293 P294 N299 N300 K301 L304	F20-W297 HydrophobicContact CE1-CB 3.59Å; F20-W297 AromaticContact CE1-CG 3.99Å; F20-W297 HydrophobicContact CE1-CG 3.99Å; F20-W297 HydrophobicContact CZ-CB 3.98Å; F20-W297 AromaticContact CZ-CD1 3.64Å; F20-W297 AromaticContact CZ-CG 3.92Å; F20-W297 HydrophobicContact CZ-CG 3.92Å; L92-W297 VanDerWaalsContact CD2-CA 3.43Å; L92-W297 HydrophobicContact CD2-CB 4.13Å; L92-W297 HydrophobicContact CD2-CE3 3.99Å; H95-W297 HydrophobicContact CB-CD2 3.95Å; H95-W297 HydrophobicContact CB-CE3 3.68Å; H95-W297 HydrophobicContact CB-CH2 4.38Å; H95-W297 HydrophobicContact CB-CZ3 3.92Å; L96-W297 HydrophobicContact CB-CH2 4.43Å; L96-W297 HydrophobicContact CB-CZ3 4.15Å; Y99-W297 HydrophobicContact CD1-CH2 4.46Å; Y99-W297 HydrophobicContact CD2-CZ2 4.11Å; Y99-W297 HydrophobicContact CG-CH2 4.07Å; Y99-W297 AromaticContact CG-CZ2 3.88Å; Y99-W297 HydrophobicContact CG-CZ2 3.88Å; L293-W297 PolarHBondContact O-N 3.26Å; P294-W297 PolarHBondContact O-N 3.48Å; W297-N299 VanDerWaalsContact C-N 3.27Å; W297-N299 PolarHBondContact O-N 2.99Å; W297-N300 PolarHBondContact O-N 2.81Å; W297-N300 VanDerWaalsContact O-N 3.1Å; W297-K301 HydrophobicContact CD2-CB 4.2Å; W297-K301 HydrophobicContact CE3-CB 4.37Å; W297-K301 HydrophobicContact CH2-CB 4.15Å; W297-K301 HydrophobicContact CH2-CD 4.15Å; W297-K301 HydrophobicContact CH2-CG 3.76Å; W297-K301 HydrophobicContact CZ2-CB 3.98Å; W297-K301 HydrophobicContact CZ2-CD 3.38Å; W297-K301 HydrophobicContact CZ2-CG 3.51Å; W297-K301 HydrophobicContact CZ3-CB 4.35Å; W297-K301 HydrophobicContact CZ3-CG 4.43Å; W297-K301 WeakPolarHBondContact O-CB 3.44Å; W297-K301 PolarHBondContact O-N 3.49Å; W297-L304 HydrophobicContact CZ3-CD1 4.17Å
298	N	98.8	Very high	98.7	Very high	114 Å²	114	46.2 Å²	46.2	61%	0.61	23%	0.231	S	C	*	.	H	α-helix	trans	-58.8	-39.2	-179	-170.7	66.6	0	0	0	112.8	P294 S295 N300	P294-N298 WeakPolarHBondContact O-CB 3.39Å; P294-N298 PolarHBondContact O-N 3.29Å; S295-N298 PolarHBondContact O-N 3.03Å; N298-N300 VanDerWaalsContact C-N 3.34Å; N298-N300 PolarHBondContact O-N 3.43Å
299	N	98.8	Very high	98.7	Very high	24 Å²	24	47.6 Å²	47.6	13%	0.128	24%	0.237	C	C	.	.	H	α-helix	trans	-77.6	-15.6	-179.4	-68.5	-20.1	0	0	0	114.1	N233 N235 S295 F296 W297	N233-N299 WeakPolarHBondContact CA-O 3.48Å; N235-N299 PolarHBondContact ND2-ND2 2.78Å; S295-N299 WeakPolarHBondContact O-CB 3.26Å; S295-N299 PolarHBondContact O-N 3.36Å; S295-N299 PolarHBondContact O-ND2 3.43Å; S295-N299 PolarHBondContact OG-ND2 3.36Å; F296-N299 PolarHBondContact O-N 3.12Å; W297-N299 VanDerWaalsContact C-N 3.27Å; W297-N299 PolarHBondContact O-N 2.99Å
300	N	98.9	Very high	98.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-116.4	-19.3	-175.5	-72.1	-78.9	0	0	0	114.1	L92 Y229 N233 F296 W297 N298 A302 S303 L304	L92-N300 HydrophobicContact CD1-CB 3.89Å; L92-N300 HydrophobicContact CD2-CB 4.19Å; Y229-N300 PolarHBondContact OH-OD1 2.86Å; N233-N300 PolarHBondContact ND2-OD1 3.19Å; F296-N300 WeakPolarHBondContact O-CB 3.37Å; F296-N300 PolarHBondContact O-N 3.3Å; F296-N300 VanDerWaalsContact O-N 3.15Å; F296-N300 PolarHBondContact O-ND2 2.71Å; W297-N300 PolarHBondContact O-N 2.81Å; W297-N300 VanDerWaalsContact O-N 3.1Å; N298-N300 VanDerWaalsContact C-N 3.34Å; N298-N300 PolarHBondContact O-N 3.43Å; N300-A302 VanDerWaalsContact C-N 3.34Å; N300-A302 PolarHBondContact O-N 2.94Å; N300-S303 WeakPolarHBondContact O-CB 3.47Å; N300-S303 PolarHBondContact O-N 2.89Å; N300-L304 HydrophobicContact CB-CD1 4.37Å; N300-L304 WeakPolarHBondContact O-CG 3.46Å; N300-L304 PolarHBondContact O-N 3.25Å
301	K	98.8	Very high	98.7	Very high	70 Å²	70	37.7 Å²	37.7	30%	0.304	20%	0.197	S	C	.	.	H	α-helix	trans	-51.2	-50.9	-176.4	-179.5	178.3	71.5	170.8	0	112.3	Y99 W297 L304 I305	Y99-K301 HydrophobicContact CD2-CD 4.22Å; Y99-K301 HydrophobicContact CE2-CD 4.01Å; W297-K301 HydrophobicContact CD2-CB 4.2Å; W297-K301 HydrophobicContact CE3-CB 4.37Å; W297-K301 HydrophobicContact CH2-CB 4.15Å; W297-K301 HydrophobicContact CH2-CD 4.15Å; W297-K301 HydrophobicContact CH2-CG 3.76Å; W297-K301 HydrophobicContact CZ2-CB 3.98Å; W297-K301 HydrophobicContact CZ2-CD 3.38Å; W297-K301 HydrophobicContact CZ2-CG 3.51Å; W297-K301 HydrophobicContact CZ3-CB 4.35Å; W297-K301 HydrophobicContact CZ3-CG 4.43Å; W297-K301 WeakPolarHBondContact O-CB 3.44Å; W297-K301 PolarHBondContact O-N 3.49Å; K301-L304 PolarHBondContact O-N 2.79Å; K301-I305 WeakPolarHBondContact O-CG1 3.32Å; K301-I305 PolarHBondContact O-N 3.04Å
302	A	98.8	Very high	98.7	Very high	51 Å²	51	32.2 Å²	32.2	42%	0.421	17%	0.171	S	C	.	.	H	α-helix	trans	-64.5	-42.3	179	0	0	0	0	0	111.8	R232 N300 I305 E306	R232-A302 HydrophobicContact CB-CB 4.45Å; N300-A302 VanDerWaalsContact C-N 3.34Å; N300-A302 PolarHBondContact O-N 2.94Å; A302-I305 PolarHBondContact O-N 2.9Å; A302-E306 VanDerWaalsContact O-CB 3.27Å; A302-E306 WeakPolarHBondContact O-CB 3.42Å; A302-E306 VanDerWaalsContact O-CG 3.25Å; A302-E306 WeakPolarHBondContact O-CG 3.11Å; A302-E306 PolarHBondContact O-N 2.92Å
303	S	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61.2	-43.9	177.7	-62.7	0	0	0	0	112.9	Y229 R232 N233 N300 Y307	Y229-S303 WeakPolarHBondContact CD2-O 3.39Å; Y229-S303 WeakPolarHBondContact O-CB 3.44Å; Y229-S303 PolarHBondContact O-OG 3.24Å; R232-S303 VanDerWaalsContact CB-OG 3.24Å; R232-S303 WeakPolarHBondContact CB-OG 3.44Å; N233-S303 PolarHBondContact N-OG 3.03Å; N233-S303 VanDerWaalsContact N-OG 3.13Å; N300-S303 WeakPolarHBondContact O-CB 3.47Å; N300-S303 PolarHBondContact O-N 2.89Å; S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.48Å
304	L	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-49.9	178.3	-70.9	164.6	0	0	0	111.1	Y78 L92 L96 L189 Y229 W297 N300 K301 Y307 I308	Y78-L304 HydrophobicContact CD2-CD2 4.35Å; Y78-L304 HydrophobicContact CE1-CD2 4.24Å; Y78-L304 HydrophobicContact CE2-CB 4.35Å; Y78-L304 HydrophobicContact CE2-CD2 3.67Å; Y78-L304 WeakPolarHBondContact OH-CA 3.46Å; Y78-L304 PolarHBondContact OH-O 2.83Å; L92-L304 HydrophobicContact CB-CD1 4.36Å; L96-L304 HydrophobicContact CD1-CB 4.39Å; L96-L304 HydrophobicContact CD2-CB 4.42Å; L189-L304 HydrophobicContact CD2-CD2 4.3Å; Y229-L304 HydrophobicContact CE2-CD2 3.96Å; Y229-L304 HydrophobicContact CE2-CG 4.15Å; W297-L304 HydrophobicContact CZ3-CD1 4.17Å; N300-L304 HydrophobicContact CB-CD1 4.37Å; N300-L304 WeakPolarHBondContact O-CG 3.46Å; N300-L304 PolarHBondContact O-N 3.25Å; K301-L304 PolarHBondContact O-N 2.79Å; L304-Y307 PolarHBondContact O-N 3.38Å; L304-I308 VanDerWaalsContact O-CG1 3.31Å; L304-I308 WeakPolarHBondContact O-CG1 3.17Å; L304-I308 PolarHBondContact O-N 3.44Å; L304-I308 VanDerWaalsContact O-N 3.09Å
305	I	98.9	Very high	98.7	Very high	13 Å²	13	26.4 Å²	26.4	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-46	-179.8	-63.6	-59	0	0	0	111.5	L96 Y99 L100 I110 L113 K301 A302 Y307 I308 K309	L96-I305 HydrophobicContact CD1-CD1 3.67Å; Y99-I305 HydrophobicContact CD1-CD1 4.17Å; Y99-I305 HydrophobicContact CE1-CD1 4.08Å; Y99-I305 HydrophobicContact CE1-CG1 4.13Å; L100-I305 HydrophobicContact CD2-CD1 3.93Å; I110-I305 HydrophobicContact CD1-CD1 3.84Å; I110-I305 HydrophobicContact CD1-CG1 4.18Å; I110-I305 HydrophobicContact CD1-CG2 3.84Å; L113-I305 HydrophobicContact CD2-CG2 4.3Å; K301-I305 WeakPolarHBondContact O-CG1 3.32Å; K301-I305 PolarHBondContact O-N 3.04Å; A302-I305 PolarHBondContact O-N 2.9Å; I305-Y307 PolarHBondContact O-N 3.37Å; I305-I308 HydrophobicContact CD1-CD1 4.45Å; I305-I308 PolarHBondContact O-N 3.08Å; I305-K309 WeakPolarHBondContact O-CG 3.35Å; I305-K309 PolarHBondContact O-N 2.74Å
306	E	98.6	Very high	98.7	Very high	47 Å²	47	23.7 Å²	23.7	22%	0.22	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-32	179.4	-74.7	-69.1	114.6	0	0	112.4	T228 R232 A302 K309 Q310	T228-E306 HydrophobicContact CG2-CB 4.22Å; R232-E306 HydrophobicContact CG-CG 4.24Å; R232-E306 IonicContact CZ-OE2 3.85Å; R232-E306 IonicContact NE-OE2 3.75Å; R232-E306 IonicContact NH2-OE2 3.16Å; R232-E306 PolarHBondContact NH2-OE2 2.72Å; A302-E306 VanDerWaalsContact O-CB 3.27Å; A302-E306 WeakPolarHBondContact O-CB 3.42Å; A302-E306 VanDerWaalsContact O-CG 3.25Å; A302-E306 WeakPolarHBondContact O-CG 3.11Å; A302-E306 PolarHBondContact O-N 2.92Å; E306-K309 WeakPolarHBondContact OE1-CD 3.42Å; E306-K309 IonicContact OE1-NZ 3.45Å; E306-K309 PolarHBondContact OE1-NZ 3.04Å; E306-Q310 WeakPolarHBondContact O-CG 3.42Å; E306-Q310 PolarHBondContact O-NE2 2.93Å
307	Y	98.9	Very high	98.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-72.2	-42.9	176	-172.3	-93	0	0	0	112.5	F76 Y78 L185 S186 A187 L225 Y229 I278 S303 L304 I305 K309 Q310	F76-Y307 AromaticContact CE2-CD1 3.81Å; F76-Y307 HydrophobicContact CE2-CD1 3.81Å; F76-Y307 AromaticContact CE2-CE1 3.88Å; F76-Y307 HydrophobicContact CE2-CE1 3.88Å; F76-Y307 AromaticContact CZ-CD1 3.92Å; F76-Y307 HydrophobicContact CZ-CD1 3.92Å; F76-Y307 HydrophobicContact CZ-CE1 4.16Å; Y78-Y307 AromaticContact CE1-CD1 3.91Å; Y78-Y307 HydrophobicContact CE1-CD1 3.91Å; Y78-Y307 HydrophobicContact CE1-CE1 4.3Å; Y78-Y307 AromaticContact CZ-CD1 3.87Å; Y78-Y307 WeakPolarHBondContact OH-CB 3.4Å; Y78-Y307 VanDerWaalsContact OH-CD1 3.25Å; Y78-Y307 WeakPolarHBondContact OH-CD1 3.42Å; L185-Y307 HydrophobicContact CD1-CE1 4.25Å; L185-Y307 WeakPolarHBondContact CD1-OH 3.43Å; L185-Y307 HydrophobicContact CD2-CD1 4.48Å; L185-Y307 HydrophobicContact CD2-CE1 4.09Å; L185-Y307 WeakPolarHBondContact CD2-O 3.39Å; L185-Y307 HydrophobicContact CG-CE1 4Å; S186-Y307 PolarHBondContact O-OH 2.88Å; A187-Y307 HydrophobicContact CB-CD1 4.49Å; A187-Y307 HydrophobicContact CB-CE1 3.82Å; L225-Y307 HydrophobicContact CB-CE2 4.02Å; L225-Y307 HydrophobicContact CD2-CE2 4.28Å; Y229-Y307 HydrophobicContact CD2-CD2 4.46Å; Y229-Y307 HydrophobicContact CD2-CG 4.28Å; I278-Y307 HydrophobicContact CD1-CD2 4.18Å; I278-Y307 HydrophobicContact CD1-CE2 3.31Å; I278-Y307 HydrophobicContact CG1-CE2 3.95Å; I278-Y307 WeakPolarHBondContact CG1-OH 3.45Å; S303-Y307 WeakPolarHBondContact O-CB 3.41Å; S303-Y307 PolarHBondContact O-N 3.48Å; L304-Y307 PolarHBondContact O-N 3.38Å; I305-Y307 PolarHBondContact O-N 3.37Å; Y307-K309 PolarHBondContact O-N 2.97Å; Y307-Q310 WeakPolarHBondContact O-CB 3.45Å; Y307-Q310 PolarHBondContact O-N 3.06Å
308	I	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.2	-42.4	174.6	-62	162.4	0	0	0	110.2	F76 Y78 L96 L113 T117 I119 L304 I305 Q310 V311	F76-I308 HydrophobicContact CD1-CG1 4.05Å; F76-I308 HydrophobicContact CD1-CG2 4.21Å; F76-I308 HydrophobicContact CD2-CB 4.5Å; F76-I308 HydrophobicContact CD2-CG2 4.29Å; F76-I308 HydrophobicContact CE1-CD1 4.47Å; F76-I308 HydrophobicContact CE1-CG1 3.62Å; F76-I308 HydrophobicContact CE2-CB 4.37Å; F76-I308 HydrophobicContact CE2-CG1 4.13Å; F76-I308 HydrophobicContact CG-CG2 4.08Å; F76-I308 HydrophobicContact CZ-CB 4.4Å; F76-I308 HydrophobicContact CZ-CG1 3.67Å; Y78-I308 HydrophobicContact CD2-CG1 4.46Å; Y78-I308 HydrophobicContact CE2-CD1 3.92Å; Y78-I308 HydrophobicContact CE2-CG1 3.7Å; L96-I308 HydrophobicContact CD2-CD1 4.26Å; L113-I308 HydrophobicContact CD1-CG2 3.99Å; L113-I308 HydrophobicContact CD2-CB 4.24Å; L113-I308 HydrophobicContact CD2-CG2 4.01Å; L113-I308 HydrophobicContact CG-CG2 4.23Å; T117-I308 HydrophobicContact CG2-CG2 4.38Å; I119-I308 HydrophobicContact CD1-CD1 4.49Å; I119-I308 HydrophobicContact CD1-CG2 3.97Å; I119-I308 HydrophobicContact CG1-CG2 4.07Å; I119-I308 HydrophobicContact CG2-CD1 4.39Å; L304-I308 VanDerWaalsContact O-CG1 3.31Å; L304-I308 WeakPolarHBondContact O-CG1 3.17Å; L304-I308 PolarHBondContact O-N 3.44Å; L304-I308 VanDerWaalsContact O-N 3.09Å; I305-I308 HydrophobicContact CD1-CD1 4.45Å; I305-I308 PolarHBondContact O-N 3.08Å; I308-Q310 PolarHBondContact O-N 3.4Å; I308-V311 WeakPolarHBondContact O-CB 3.31Å; I308-V311 WeakPolarHBondContact O-CG1 3.29Å; I308-V311 PolarHBondContact O-N 3.19Å
309	K	98.6	Very high	98.6	Very high	33 Å²	33	16.8 Å²	16.8	14%	0.143	9%	0.091	C	C	.	.	H	α-helix	trans	-56.4	-25	178.2	-70.4	173.6	-174.9	176.1	0	113.2	L113 I305 E306 Y307 V311 H312 F385	L113-K309 HydrophobicContact CD1-CG 3.94Å; L113-K309 HydrophobicContact CD2-CG 4.38Å; I305-K309 WeakPolarHBondContact O-CG 3.35Å; I305-K309 PolarHBondContact O-N 2.74Å; E306-K309 WeakPolarHBondContact OE1-CD 3.42Å; E306-K309 IonicContact OE1-NZ 3.45Å; E306-K309 PolarHBondContact OE1-NZ 3.04Å; Y307-K309 PolarHBondContact O-N 2.97Å; K309-V311 PolarHBondContact O-N 3.12Å; K309-H312 WeakPolarHBondContact O-CB 3.17Å; K309-H312 PolarHBondContact O-CD2 2.72Å; K309-H312 PolarHBondContact O-N 2.79Å; K309-F385 HydrophobicContact CD-CE1 3.8Å; K309-F385 HydrophobicContact CD-CZ 3.86Å; K309-F385 HydrophobicContact CG-CD1 4.44Å; K309-F385 HydrophobicContact CG-CE1 3.93Å; K309-F385 HydrophobicContact CG-CZ 4.12Å
310	Q	98.7	Very high	98.4	Very high	17 Å²	17	17.4 Å²	17.4	8%	0.079	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-71.4	-11	-180	-53	-44	-47.7	0	0	114	L185 Y224 L225 T228 E306 Y307 I308 H312 L313	L185-Q310 HydrophobicContact CD2-CB 3.82Å; Y224-Q310 HydrophobicContact CE1-CG 4.48Å; L225-Q310 HydrophobicContact CD2-CB 3.42Å; L225-Q310 VanDerWaalsContact CD2-CB 3.42Å; L225-Q310 HydrophobicContact CD2-CG 3.95Å; T228-Q310 HydrophobicContact CG2-CG 3.68Å; E306-Q310 WeakPolarHBondContact O-CG 3.42Å; E306-Q310 PolarHBondContact O-NE2 2.93Å; Y307-Q310 WeakPolarHBondContact O-CB 3.45Å; Y307-Q310 PolarHBondContact O-N 3.06Å; I308-Q310 PolarHBondContact O-N 3.4Å; Q310-H312 PolarHBondContact O-N 2.78Å; Q310-L313 HydrophobicContact CB-CD1 3.96Å; Q310-L313 HydrophobicContact CB-CG 4.32Å; Q310-L313 WeakPolarHBondContact O-CB 3.42Å; Q310-L313 WeakPolarHBondContact O-CG 3.36Å; Q310-L313 PolarHBondContact O-N 3.48Å
311	V	98.8	Very high	98.2	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.012	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-61.5	-12.4	170.4	79.2	0	0	0	0	112.4	P74 F76 T117 V184 L185 I308 K309	P74-V311 HydrophobicContact CB-CG2 3.67Å; P74-V311 HydrophobicContact CG-CB 4.49Å; P74-V311 HydrophobicContact CG-CG1 3.84Å; P74-V311 HydrophobicContact CG-CG2 3.94Å; F76-V311 HydrophobicContact CB-CG2 4.29Å; F76-V311 HydrophobicContact CD2-CB 4.28Å; T117-V311 HydrophobicContact CG2-CG1 3.87Å; V184-V311 HydrophobicContact CB-CG2 3.84Å; V184-V311 HydrophobicContact CG1-CG2 4.02Å; L185-V311 HydrophobicContact CB-CB 4.02Å; L185-V311 HydrophobicContact CB-CG2 3.8Å; L185-V311 HydrophobicContact CD2-CB 4.13Å; L185-V311 VanDerWaalsContact CD2-N 3.33Å; I308-V311 WeakPolarHBondContact O-CB 3.31Å; I308-V311 WeakPolarHBondContact O-CG1 3.29Å; I308-V311 PolarHBondContact O-N 3.19Å; K309-V311 PolarHBondContact O-N 3.12Å
312	H	98.4	Very high	97.8	Very high	14 Å²	14	20.1 Å²	20.1	7%	0.065	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-97.6	9.9	176.8	-57.1	-51.6	0	0	0	114.2	S116 T117 K309 Q310 F385 A387	S116-H312 PolarHBondContact O-CE1 2.78Å; S116-H312 PolarHBondContact OG-NE2 3.01Å; T117-H312 PolarHBondContact OG1-CE1 3.21Å; T117-H312 PolarHBondContact OG1-NE2 2.73Å; K309-H312 WeakPolarHBondContact O-CB 3.17Å; K309-H312 PolarHBondContact O-CD2 2.72Å; K309-H312 PolarHBondContact O-N 2.79Å; Q310-H312 PolarHBondContact O-N 2.78Å; H312-F385 PolarHBondContact CE1-O 2.86Å; H312-F385 VanDerWaalsContact CG-C 3.5Å; H312-F385 PolarHBondContact ND1-O 2.96Å; H312-A387 WeakPolarHBondContact O-CA 3.49Å; H312-A387 WeakPolarHBondContact O-CB 3.05Å; H312-A387 PolarHBondContact O-N 3.07Å
313	L	97.9	Very high	97.5	Very high	27 Å²	27	22.7 Å²	22.7	14%	0.141	11%	0.113	C	C	.	.	S	Bend	trans	-68.1	159	171	-70.9	171.4	0	0	0	111.8	Y224 L225 Q310 L354 A387	Y224-L313 HydrophobicContact CD1-CD1 3.9Å; Y224-L313 HydrophobicContact CE1-CD1 3.76Å; Y224-L313 HydrophobicContact CE1-CD2 4.23Å; L225-L313 HydrophobicContact CD2-CD1 4.14Å; Q310-L313 HydrophobicContact CB-CD1 3.96Å; Q310-L313 HydrophobicContact CB-CG 4.32Å; Q310-L313 WeakPolarHBondContact O-CB 3.42Å; Q310-L313 WeakPolarHBondContact O-CG 3.36Å; Q310-L313 PolarHBondContact O-N 3.48Å; L313-L354 HydrophobicContact CB-CD2 4.09Å; L313-A387 WeakPolarHBondContact O-CB 3.42Å
314	G	97.9	Very high	97.2	Very high	5 Å²	5	24.6 Å²	24.6	5%	0.052	13%	0.133	C	C	.	.	S	Bend	trans	69.6	-132.5	169.3	0	0	0	0	0	115.1	L353 L355 L388	G314-L353 WeakPolarHBondContact CA-O 3.43Å; G314-L355 VanDerWaalsContact CA-O 3.29Å; G314-L355 WeakPolarHBondContact CA-O 3.36Å; G314-L355 PolarHBondContact N-O 3.15Å; G314-L388 WeakPolarHBondContact O-CB 3.35Å; G314-L388 PolarHBondContact O-N 3.1Å
315	V	98.4	Very high	97	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	146.5	-169.4	61.5	0	0	0	0	111.3	Y351 L353 L355 I362 V376 L388 K390	V315-Y351 HydrophobicContact CG1-CE2 4.28Å; V315-Y351 HydrophobicContact CG2-CE2 4.33Å; V315-L353 HydrophobicContact CG1-CB 3.97Å; V315-L353 HydrophobicContact CG1-CD1 4.4Å; V315-L353 PolarHBondContact N-O 3.26Å; V315-L353 PolarHBondContact O-N 3.09Å; V315-L355 HydrophobicContact CG1-CD1 4.08Å; V315-I362 HydrophobicContact CG1-CD1 3.91Å; V315-V376 HydrophobicContact CB-CG1 4.29Å; V315-V376 HydrophobicContact CG2-CG1 4.04Å; V315-L388 CarbonylContact C-O 3.54Å; V315-L388 VanDerWaalsContact CA-O 3.28Å; V315-L388 WeakPolarHBondContact CA-O 3.2Å; V315-L388 HydrophobicContact CB-CB 4.47Å; V315-L388 WeakPolarHBondContact CG2-O 3.15Å; V315-K390 HydrophobicContact CG2-CB 3.69Å
316	K	98.4	Very high	96.8	Very high	7 Å²	7	30.1 Å²	30.1	3%	0.03	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.3	173.1	65.5	-176.5	171.9	-172.2	0	110.7	G72 Y351 Y352 S386 A387 L388 K389 K390	G72-K316 WeakPolarHBondContact O-CE 3.21Å; G72-K316 PolarHBondContact O-NZ 3.43Å; K316-Y351 VanDerWaalsContact CA-O 3.22Å; K316-Y351 WeakPolarHBondContact CA-O 3.44Å; K316-Y351 WeakPolarHBondContact CB-O 3.36Å; K316-Y352 HydrophobicContact CB-CD1 3.56Å; K316-Y352 HydrophobicContact CB-CE1 3.94Å; K316-Y352 HydrophobicContact CB-CG 4.17Å; K316-Y352 HydrophobicContact CD-CD1 3.96Å; K316-Y352 HydrophobicContact CD-CE1 3.66Å; K316-Y352 HydrophobicContact CG-CD1 4.4Å; K316-Y352 HydrophobicContact CG-CE1 4.41Å; K316-S386 WeakPolarHBondContact CE-OG 3.44Å; K316-S386 PolarHBondContact NZ-OG 3.12Å; K316-A387 HydrophobicContact CB-CB 4.46Å; K316-A387 HydrophobicContact CD-CB 4.08Å; K316-A387 HydrophobicContact CG-CB 4.03Å; K316-L388 PolarHBondContact N-O 3.49Å; K316-K389 HydrophobicContact CG-CG 4.47Å; K316-K389 CarbonylContact O-C 3.48Å; K316-K389 VanDerWaalsContact O-CA 3.3Å; K316-K389 WeakPolarHBondContact O-CA 3.2Å; K316-K390 PolarHBondContact O-N 2.9Å
317	G	98.4	Very high	96.5	Very high	10 Å²	10	27.9 Å²	27.9	10%	0.103	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.6	-170.2	174.4	0	0	0	0	0	111.3	E350 Y351 D391	G317-E350 CarbonylContact O-C 3.5Å; G317-E350 WeakPolarHBondContact O-CA 3.4Å; G317-Y351 PolarHBondContact N-O 3.1Å; G317-Y351 VanDerWaalsContact N-O 3.11Å; G317-Y351 WeakPolarHBondContact O-CD1 3.26Å; G317-Y351 PolarHBondContact O-N 2.67Å; G317-D391 WeakPolarHBondContact CA-OD1 3.06Å
318	Q	98.4	Very high	96.3	Very high	30 Å²	30	29.9 Å²	29.9	14%	0.14	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	148.9	174.7	-70.7	177.7	-79.2	0	0	111.4	I71 F320 Y348 G349 E350 D391 I392	I71-Q318 HydrophobicContact CG2-CG 4.37Å; Q318-F320 HydrophobicContact CB-CD2 4.21Å; Q318-F320 HydrophobicContact CB-CE1 4.15Å; Q318-F320 HydrophobicContact CB-CE2 3.37Å; Q318-F320 HydrophobicContact CB-CZ 3.34Å; Q318-F320 HydrophobicContact CG-CZ 4.17Å; Q318-Y348 PolarHBondContact NE2-O 3.13Å; Q318-G349 CarbonylContact C-O 3.58Å; Q318-G349 VanDerWaalsContact CA-O 3.28Å; Q318-G349 WeakPolarHBondContact CA-O 3.4Å; Q318-E350 HydrophobicContact CG-CB 4.36Å; Q318-E350 HydrophobicContact CG-CG 3.52Å; Q318-D391 PolarHBondContact N-OD1 3.1Å; Q318-D391 WeakPolarHBondContact O-CA 3.42Å; Q318-I392 PolarHBondContact O-N 3.02Å
319	V	97.6	Very high	96	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	129.4	170.7	-176.1	0	0	0	0	109.1	P326 L327 V330 V332 T345 G349 Y351 V364 I392 L394	V319-P326 CarbonylContact O-C 3.35Å; V319-P326 WeakPolarHBondContact O-CA 3.4Å; V319-L327 HydrophobicContact CG1-CB 4.5Å; V319-L327 HydrophobicContact CG1-CD1 4.48Å; V319-L327 PolarHBondContact O-N 2.79Å; V319-V330 HydrophobicContact CG1-CG1 4.39Å; V319-V332 HydrophobicContact CG2-CG2 3.76Å; V319-T345 HydrophobicContact CB-CG2 4.23Å; V319-T345 HydrophobicContact CG2-CG2 3.72Å; V319-G349 PolarHBondContact N-O 3.14Å; V319-Y351 HydrophobicContact CG2-CD1 4.07Å; V319-Y351 HydrophobicContact CG2-CE1 4.41Å; V319-V364 HydrophobicContact CG1-CG1 4Å; V319-V364 HydrophobicContact CG2-CG1 4.35Å; V319-I392 CarbonylContact C-O 3.54Å; V319-I392 WeakPolarHBondContact CA-O 3.41Å; V319-I392 HydrophobicContact CG2-CB 4.37Å; V319-I392 HydrophobicContact CG2-CD1 4.48Å; V319-L394 HydrophobicContact CG1-CD1 3.85Å; V319-L394 HydrophobicContact CG1-CG 4.01Å
320	F	96	Very high	95.7	Very high	37 Å²	37	29.1 Å²	29.1	16%	0.162	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.4	-178.1	-57.4	-84.1	0	0	0	111.7	Q318 G324 N325 P326 D391 I392 L393 L394	Q318-F320 HydrophobicContact CB-CD2 4.21Å; Q318-F320 HydrophobicContact CB-CE1 4.15Å; Q318-F320 HydrophobicContact CB-CE2 3.37Å; Q318-F320 HydrophobicContact CB-CZ 3.34Å; Q318-F320 HydrophobicContact CG-CZ 4.17Å; F320-G324 WeakPolarHBondContact CD1-O 3.41Å; F320-N325 CarbonylContact C-O 3.56Å; F320-N325 VanDerWaalsContact CA-O 3.23Å; F320-N325 WeakPolarHBondContact CA-O 3.44Å; F320-P326 HydrophobicContact CD1-CB 4.19Å; F320-P326 HydrophobicContact CE1-CB 4.1Å; F320-D391 HydrophobicContact CD2-CB 4.4Å; F320-D391 HydrophobicContact CE2-CB 3.93Å; F320-I392 PolarHBondContact N-O 3.26Å; F320-L393 HydrophobicContact CB-CD1 3.9Å; F320-L394 PolarHBondContact O-N 2.82Å
321	D	93.1	Very high	95.6	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	17%	0.169	C	C	.	.			trans	-75	175	164.1	72.8	8.1	0	0	0	111.8	N323 G324 N325 L327 L393	D321-N323 PolarHBondContact O-N 3.27Å; D321-N323 WeakPolarHBondContact OD1-CA 3.24Å; D321-N323 WeakPolarHBondContact OD1-CB 3.43Å; D321-N323 PolarHBondContact OD1-N 3.18Å; D321-G324 PolarHBondContact O-N 3.47Å; D321-G324 PolarHBondContact OD1-N 3.37Å; D321-N325 PolarHBondContact N-O 3.4Å; D321-N325 WeakPolarHBondContact OD1-CB 3.33Å; D321-N325 PolarHBondContact OD1-N 3.03Å; D321-N325 PolarHBondContact OD1-ND2 2.75Å; D321-N325 PolarHBondContact OD2-ND2 2.88Å; D321-L327 HydrophobicContact CB-CD1 4.03Å; D321-L327 HydrophobicContact CB-CD2 4.13Å; D321-L327 HydrophobicContact CB-CG 4.21Å; D321-L393 WeakPolarHBondContact O-CD1 3.43Å
322	Q	91.8	Very high	95.6	Very high	127 Å²	127	29.7 Å²	29.7	59%	0.593	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-20.2	178.7	-163.5	-177.9	10	0	0	114.4	L394 F396	Q322-L394 PolarHBondContact N-O 3.36Å; Q322-F396 PolarHBondContact N-O 3.04Å
323	N	91.8	Very high	95.5	Very high	104 Å²	104	29.7 Å²	29.7	56%	0.556	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-1.8	178.3	-62.4	-34.5	0	0	0	112.9	D321	D321-N323 PolarHBondContact O-N 3.27Å; D321-N323 WeakPolarHBondContact OD1-CA 3.24Å; D321-N323 WeakPolarHBondContact OD1-CB 3.43Å; D321-N323 PolarHBondContact OD1-N 3.18Å
324	G	92.6	Very high	95.5	Very high	40 Å²	40	28.6 Å²	28.6	41%	0.412	16%	0.164	S	C	.	.	S	Bend	trans	82.5	15.2	-177.1	0	0	0	0	0	114.1	F320 D321	F320-G324 WeakPolarHBondContact CD1-O 3.41Å; D321-G324 PolarHBondContact O-N 3.47Å; D321-G324 PolarHBondContact OD1-N 3.37Å
325	N	94	Very high	95.3	Very high	74 Å²	74	33 Å²	33	40%	0.396	18%	0.183	S	C	.	.			trans	-82.1	132.2	174.7	-56.9	-56.1	0	0	0	110.3	F320 D321	F320-N325 CarbonylContact C-O 3.56Å; F320-N325 VanDerWaalsContact CA-O 3.23Å; F320-N325 WeakPolarHBondContact CA-O 3.44Å; D321-N325 PolarHBondContact N-O 3.4Å; D321-N325 WeakPolarHBondContact OD1-CB 3.33Å; D321-N325 PolarHBondContact OD1-N 3.03Å; D321-N325 PolarHBondContact OD1-ND2 2.75Å; D321-N325 PolarHBondContact OD2-ND2 2.88Å
326	P	95.1	Very high	95	Very high	55 Å²	55	39.2 Å²	39.2	36%	0.357	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-67.8	134.9	176.3	27.5	-33.3	0	0	0	111	V319 F320 P328 Y348	V319-P326 CarbonylContact O-C 3.35Å; V319-P326 WeakPolarHBondContact O-CA 3.4Å; F320-P326 HydrophobicContact CD1-CB 4.19Å; F320-P326 HydrophobicContact CE1-CB 4.1Å; P326-P328 WeakPolarHBondContact O-CD 3.34Å; P326-Y348 VanDerWaalsContact CB-O 3.29Å; P326-Y348 WeakPolarHBondContact CB-O 3.38Å
327	L	93.7	Very high	94.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.			trans	-104.4	107.9	-176.5	-65	178.6	0	0	0	111.2	V319 D321 V330 T345 G349 L394 L400	V319-L327 HydrophobicContact CG1-CB 4.5Å; V319-L327 HydrophobicContact CG1-CD1 4.48Å; V319-L327 PolarHBondContact O-N 2.79Å; D321-L327 HydrophobicContact CB-CD1 4.03Å; D321-L327 HydrophobicContact CB-CD2 4.13Å; D321-L327 HydrophobicContact CB-CG 4.21Å; L327-V330 HydrophobicContact CB-CG2 3.59Å; L327-V330 HydrophobicContact CD1-CG2 4.49Å; L327-T345 PolarHBondContact O-OG1 3.13Å; L327-G349 WeakPolarHBondContact O-CA 2.99Å; L327-L394 HydrophobicContact CD1-CD1 3.75Å; L327-L400 HydrophobicContact CD2-CD1 4.18Å
328	P	93.8	Very high	94.7	Very high	43 Å²	43	46.3 Å²	46.3	28%	0.279	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	163.6	174.1	34	-36.5	0	0	0	111.6	P326 V330 T345 N346	P326-P328 WeakPolarHBondContact O-CD 3.34Å; P328-V330 PolarHBondContact O-N 3.47Å; P328-V330 VanDerWaalsContact O-N 3.12Å; P328-T345 WeakPolarHBondContact CA-OG1 3.4Å; P328-N346 VanDerWaalsContact CA-O 3.3Å; P328-N346 WeakPolarHBondContact CA-O 3.39Å; P328-N346 VanDerWaalsContact CB-O 3.25Å; P328-N346 WeakPolarHBondContact CB-O 3.2Å
329	N	91.9	Very high	94.6	Very high	17 Å²	17	45.7 Å²	45.7	9%	0.091	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	17	171.4	-159.1	25.7	0	0	0	114.9	R344 T345 I403 P404 P408	N329-R344 PolarHBondContact O-NH1 3.15Å; N329-R344 WeakPolarHBondContact OD1-CD 3.36Å; N329-T345 PolarHBondContact N-O 2.84Å; N329-T345 PolarHBondContact N-OG1 3.39Å; N329-I403 HydrophobicContact CB-CG2 3.9Å; N329-P404 PolarHBondContact ND2-O 3.12Å; N329-P408 WeakPolarHBondContact ND2-CD 3.34Å; N329-P408 WeakPolarHBondContact OD1-CD 3.03Å
330	V	93.9	Very high	94.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.			trans	-83.5	133.4	175.6	178.4	0	0	0	0	109.2	V319 L327 P328 V332 R344 T345 V364 V366	V319-V330 HydrophobicContact CG1-CG1 4.39Å; L327-V330 HydrophobicContact CB-CG2 3.59Å; L327-V330 HydrophobicContact CD1-CG2 4.49Å; P328-V330 PolarHBondContact O-N 3.47Å; P328-V330 VanDerWaalsContact O-N 3.12Å; V330-V332 HydrophobicContact CG1-CG2 4.33Å; V330-V332 PolarHBondContact O-N 2.95Å; V330-R344 CarbonylContact O-C 3.57Å; V330-R344 WeakPolarHBondContact O-CA 3.12Å; V330-T345 HydrophobicContact CB-CG2 4.23Å; V330-T345 PolarHBondContact N-OG1 2.9Å; V330-T345 PolarHBondContact O-N 2.87Å; V330-V364 HydrophobicContact CG1-CG1 3.47Å; V330-V364 VanDerWaalsContact CG1-CG1 3.47Å; V330-V366 HydrophobicContact CG1-CG2 3.78Å; V330-V366 HydrophobicContact CG2-CG2 3.98Å
331	I	96.3	Very high	94.5	Very high	29 Å²	29	47 Å²	47	15%	0.149	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	127.6	176.6	-61	170.2	0	0	0	108.8	E333 P342 Y343 R344 V364 T365	I331-E333 HydrophobicContact CG2-CG 3.94Å; I331-P342 HydrophobicContact CD1-CB 3.87Å; I331-P342 HydrophobicContact CD1-CG 4.35Å; I331-P342 HydrophobicContact CG1-CB 4.02Å; I331-P342 HydrophobicContact CG2-CB 3.94Å; I331-Y343 CarbonylContact C-O 3.54Å; I331-Y343 VanDerWaalsContact CA-O 3.27Å; I331-Y343 WeakPolarHBondContact CA-O 3.31Å; I331-R344 HydrophobicContact CG1-CG 4.02Å; I331-V364 CarbonylContact O-C 3.52Å; I331-V364 VanDerWaalsContact O-CA 3.31Å; I331-V364 WeakPolarHBondContact O-CA 3.29Å; I331-T365 PolarHBondContact N-O 2.94Å; I331-T365 PolarHBondContact O-N 3.46Å
332	V	97.6	Very high	94.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	104.4	176.8	-175	0	0	0	0	108.4	V319 V330 Y343 T345 Y351 L353 I362 N363 V364	V319-V332 HydrophobicContact CG2-CG2 3.76Å; V330-V332 HydrophobicContact CG1-CG2 4.33Å; V330-V332 PolarHBondContact O-N 2.95Å; V332-Y343 PolarHBondContact N-O 3.45Å; V332-T345 HydrophobicContact CG2-CG2 3.71Å; V332-Y351 HydrophobicContact CB-CD2 4.49Å; V332-Y351 HydrophobicContact CB-CG 4.18Å; V332-Y351 HydrophobicContact CG1-CD1 4.13Å; V332-Y351 HydrophobicContact CG1-CD2 3.63Å; V332-Y351 HydrophobicContact CG1-CE1 4.47Å; V332-Y351 HydrophobicContact CG1-CE2 4Å; V332-Y351 HydrophobicContact CG1-CG 3.68Å; V332-Y351 HydrophobicContact CG2-CD1 4.49Å; V332-Y351 HydrophobicContact CG2-CG 4.39Å; V332-L353 HydrophobicContact CG1-CD1 4.27Å; V332-I362 HydrophobicContact CG1-CG2 3.53Å; V332-N363 WeakPolarHBondContact CA-O 3.35Å; V332-V364 HydrophobicContact CG1-CG2 4.39Å; V332-V364 HydrophobicContact CG2-CG1 4.29Å; V332-V364 HydrophobicContact CG2-CG2 4.37Å
333	E	96.6	Very high	94.9	Very high	15 Å²	15	43 Å²	43	7%	0.07	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.1	-175.1	-64.8	-175.8	121.1	0	0	110.7	I331 H339 P342 Y343 I362 N363	I331-E333 HydrophobicContact CG2-CG 3.94Å; E333-H339 WeakPolarHBondContact OE1-CB 3.35Å; E333-H339 IonicContact OE1-CE1 3.44Å; E333-H339 IonicContact OE1-CG 3.46Å; E333-H339 PolarHBondContact OE1-N 3.37Å; E333-H339 IonicContact OE1-ND1 2.74Å; E333-H339 PolarHBondContact OE1-ND1 3.03Å; E333-P342 WeakPolarHBondContact OE1-CA 3.05Å; E333-Y343 PolarHBondContact OE1-N 3.31Å; E333-Y343 VanDerWaalsContact OE1-N 3.14Å; E333-I362 CarbonylContact O-C 3.48Å; E333-I362 WeakPolarHBondContact O-CA 3.42Å; E333-N363 PolarHBondContact N-O 3.22Å; E333-N363 VanDerWaalsContact N-O 3.13Å; E333-N363 PolarHBondContact O-N 3.01Å
334	V	97.7	Very high	95.1	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	139.6	169.6	-177	0	0	0	0	108.9	D336 R337 L353 L355 Y360 I361	V334-D336 WeakPolarHBondContact CG1-OD1 3.42Å; V334-D336 PolarHBondContact O-N 3.47Å; V334-R337 HydrophobicContact CB-CB 4.03Å; V334-R337 HydrophobicContact CB-CG 3.99Å; V334-R337 HydrophobicContact CG1-CG 4.25Å; V334-R337 CarbonylContact O-C 3.58Å; V334-R337 PolarHBondContact O-N 2.63Å; V334-L353 HydrophobicContact CG2-CD1 4.36Å; V334-L355 HydrophobicContact CG2-CD1 3.64Å; V334-L355 HydrophobicContact CG2-CD2 3.84Å; V334-L355 HydrophobicContact CG2-CG 4.36Å; V334-Y360 HydrophobicContact CG1-CD1 3.74Å; V334-Y360 HydrophobicContact CG1-CG 4.45Å; V334-Y360 HydrophobicContact CG2-CD1 4.32Å; V334-I361 WeakPolarHBondContact CA-O 3.48Å
335	Q	93.8	Very high	95.3	Very high	97 Å²	97	39.2 Å²	39.2	45%	0.453	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-36.9	-172.5	-174.4	177.3	10.3	0	0	114.5	I361	Q335-I361 HydrophobicContact CB-CB 4.31Å; Q335-I361 HydrophobicContact CB-CG2 4.4Å; Q335-I361 PolarHBondContact N-O 3.3Å
336	D	92.4	Very high	95.4	Very high	132 Å²	132	36.5 Å²	36.5	71%	0.706	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.8	7.5	-179.9	63.7	-24	0	0	0	114.3	V334	V334-D336 WeakPolarHBondContact CG1-OD1 3.42Å; V334-D336 PolarHBondContact O-N 3.47Å
337	R	96.4	Very high	95.4	Very high	20 Å²	20	41 Å²	41	8%	0.075	20%	0.199	C	C	.	.			trans	-122.6	62.3	176.4	-50.4	-166.8	-177.6	-156.2	-9.8	111.7	P217 D218 D220 V334 H339	P217-R337 HydrophobicContact CB-CB 4.28Å; D218-R337 WeakPolarHBondContact OD1-CD 3.31Å; D218-R337 IonicContact OD1-CZ 3.38Å; D218-R337 IonicContact OD1-NE 3.02Å; D218-R337 IonicContact OD1-NH1 3.82Å; D218-R337 PolarHBondContact OD1-NH1 3.15Å; D220-R337 IonicContact OD1-CZ 2.7Å; D220-R337 IonicContact OD1-NH1 3.56Å; D220-R337 PolarHBondContact OD1-NH1 3.41Å; D220-R337 VanDerWaalsContact OD1-NH1 3.1Å; D220-R337 IonicContact OD1-NH2 2.81Å; D220-R337 PolarHBondContact OD1-NH2 2.91Å; D220-R337 IonicContact OD2-CZ 3.73Å; D220-R337 IonicContact OD2-NH1 3.96Å; D220-R337 IonicContact OD2-NH2 3.77Å; D220-R337 PolarHBondContact OD2-NH2 3.27Å; V334-R337 HydrophobicContact CB-CB 4.03Å; V334-R337 HydrophobicContact CB-CG 3.99Å; V334-R337 HydrophobicContact CG1-CG 4.25Å; V334-R337 CarbonylContact O-C 3.58Å; V334-R337 PolarHBondContact O-N 2.63Å; R337-H339 PolarHBondContact O-CE1 3.16Å; R337-H339 PolarHBondContact O-ND1 2.68Å
338	K	95.1	Very high	95.5	Very high	146 Å²	146	44.7 Å²	44.7	64%	0.635	21%	0.214	S	C	*	.			trans	-78.5	125.4	175.4	-64.6	-178.6	175.8	179.9	0	109.7
339	H	96.4	Very high	95.6	Very high	17 Å²	17	42.6 Å²	42.6	8%	0.079	20%	0.2	C	C	.	.			trans	-86.5	150	176.2	-57.1	80.9	0	0	0	110.1	D218 Y270 E333 R337 C341 Y343	D218-H339 IonicContact OD2-CD2 3.85Å; D218-H339 IonicContact OD2-CE1 3.94Å; D218-H339 IonicContact OD2-NE2 3.91Å; D218-H339 PolarHBondContact OD2-NE2 2.71Å; Y270-H339 AromaticContact CE2-CD2 3.79Å; Y270-H339 AromaticContact CE2-NE2 3.78Å; Y270-H339 AromaticContact CZ-CD2 3.48Å; Y270-H339 VanDerWaalsContact CZ-CD2 3.48Å; Y270-H339 AromaticContact CZ-NE2 3.74Å; Y270-H339 PolarHBondContact OH-CD2 3.32Å; Y270-H339 VanDerWaalsContact OH-CD2 3.23Å; Y270-H339 PolarHBondContact OH-NE2 3.07Å; E333-H339 WeakPolarHBondContact OE1-CB 3.35Å; E333-H339 IonicContact OE1-CE1 3.44Å; E333-H339 IonicContact OE1-CG 3.46Å; E333-H339 PolarHBondContact OE1-N 3.37Å; E333-H339 IonicContact OE1-ND1 2.74Å; E333-H339 PolarHBondContact OE1-ND1 3.03Å; R337-H339 PolarHBondContact O-CE1 3.16Å; R337-H339 PolarHBondContact O-ND1 2.68Å; H339-C341 VanDerWaalsContact CB-O 3.26Å; H339-C341 WeakPolarHBondContact CB-O 3.32Å; H339-C341 PolarHBondContact O-N 2.93Å; H339-Y343 HydrophobicContact CB-CD1 3.88Å; H339-Y343 HydrophobicContact CB-CE1 4Å; H339-Y343 AromaticContact CD2-CD1 3.91Å; H339-Y343 AromaticContact CD2-CE1 3.44Å; H339-Y343 VanDerWaalsContact CD2-CE1 3.44Å; H339-Y343 WeakPolarHBondContact CD2-CE1 3.49Å; H339-Y343 AromaticContact CD2-CZ 3.71Å; H339-Y343 AromaticContact CG-CD1 3.56Å; H339-Y343 AromaticContact CG-CE1 3.57Å; H339-Y343 AromaticContact ND1-CD1 3.71Å; H339-Y343 AromaticContact ND1-CG 3.9Å; H339-Y343 AromaticContact NE2-CE1 3.88Å; H339-Y343 AromaticContact NE2-CE2 3.99Å; H339-Y343 AromaticContact NE2-CZ 3.73Å
340	I	96.1	Very high	95.9	Very high	52 Å²	52	42 Å²	42	27%	0.267	20%	0.197	S	C	.	.	S	Bend	trans	-62	-34.7	179.5	-166	66.4	0	0	0	111.9	I271 L415 Y416	I271-I340 HydrophobicContact CD1-CG2 3.53Å; I271-I340 HydrophobicContact CG2-CG2 4.1Å; I340-L415 HydrophobicContact CD1-CB 4.4Å; I340-L415 HydrophobicContact CG1-CB 3.46Å; I340-L415 VanDerWaalsContact CG1-CB 3.46Å; I340-L415 HydrophobicContact CG1-CD1 4.31Å; I340-L415 HydrophobicContact CG2-CB 4.34Å; I340-L415 HydrophobicContact CG2-CD1 4.13Å; I340-Y416 HydrophobicContact CB-CD2 4.35Å; I340-Y416 HydrophobicContact CB-CE1 4.06Å; I340-Y416 HydrophobicContact CB-CE2 3.75Å; I340-Y416 HydrophobicContact CD1-CD1 4.18Å; I340-Y416 HydrophobicContact CD1-CE1 4.11Å; I340-Y416 HydrophobicContact CG1-CD1 4.33Å; I340-Y416 HydrophobicContact CG1-CD2 4.31Å; I340-Y416 HydrophobicContact CG1-CE1 4.21Å; I340-Y416 HydrophobicContact CG1-CE2 4.19Å; I340-Y416 HydrophobicContact CG1-CG 4.37Å; I340-Y416 HydrophobicContact CG2-CD2 4.08Å; I340-Y416 HydrophobicContact CG2-CE2 3.47Å; I340-Y416 VanDerWaalsContact CG2-CE2 3.47Å
341	C	95.5	Very high	96.1	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.074	20%	0.198	C	C	.	.	S	Bend	trans	-106.4	109.8	160.6	-169.3	0	0	0	0	107.8	I271 H339 Y343 C410 L415	I271-C341 VanDerWaalsContact O-CB 3.26Å; I271-C341 WeakPolarHBondContact O-CB 3.29Å; H339-C341 VanDerWaalsContact CB-O 3.26Å; H339-C341 WeakPolarHBondContact CB-O 3.32Å; H339-C341 PolarHBondContact O-N 2.93Å; C341-Y343 PolarHBondContact O-N 3.44Å; C341-C410 WeakPolarHBondContact CA-SG 3.5Å; C341-C410 HydrophobicContact CB-CB 3.76Å; C341-C410 WeakPolarHBondContact CB-SG 3.23Å; C341-C410 WeakPolarHBondContact SG-CB 3.31Å; C341-C410 PolarHBondContact SG-N 3.48Å; C341-C410 CovalentContact SG-SG 2.04Å; C341-C410 PolarHBondContact SG-SG 3.49Å; C341-L415 HydrophobicContact CB-CD1 4.25Å
342	P	96.1	Very high	96.2	Very high	36 Å²	36	42.2 Å²	42.2	23%	0.234	20%	0.196	C	C	.	.			trans	-59.6	137.2	-172.1	-26.9	34.6	0	0	0	112.7	I331 E333	I331-P342 HydrophobicContact CD1-CB 3.87Å; I331-P342 HydrophobicContact CD1-CG 4.35Å; I331-P342 HydrophobicContact CG1-CB 4.02Å; I331-P342 HydrophobicContact CG2-CB 3.94Å; E333-P342 WeakPolarHBondContact OE1-CA 3.05Å
343	Y	96.5	Very high	96.2	Very high	9 Å²	9	42.8 Å²	42.8	4%	0.035	20%	0.199	C	C	.	.			trans	-74.4	134.4	179.1	-82	27.6	0	0	0	111.5	Y270 Q274 F276 I331 V332 E333 H339 C341 L353	Y270-Y343 WeakPolarHBondContact CD2-OH 3.21Å; Y270-Y343 WeakPolarHBondContact CE2-OH 3.35Å; Y270-Y343 WeakPolarHBondContact O-CE1 3.49Å; Y270-Y343 PolarHBondContact O-OH 3.1Å; Q274-Y343 HydrophobicContact CB-CD1 4.25Å; Q274-Y343 HydrophobicContact CB-CD2 4.12Å; Q274-Y343 HydrophobicContact CB-CE1 4.14Å; Q274-Y343 HydrophobicContact CB-CE2 3.98Å; Q274-Y343 HydrophobicContact CB-CG 4.24Å; Q274-Y343 HydrophobicContact CG-CD1 3.82Å; Q274-Y343 HydrophobicContact CG-CD2 4.41Å; Q274-Y343 HydrophobicContact CG-CE1 4.02Å; Q274-Y343 HydrophobicContact CG-CG 4.03Å; F276-Y343 AromaticContact CE1-CE2 3.91Å; F276-Y343 HydrophobicContact CE1-CE2 3.91Å; I331-Y343 CarbonylContact C-O 3.54Å; I331-Y343 VanDerWaalsContact CA-O 3.27Å; I331-Y343 WeakPolarHBondContact CA-O 3.31Å; V332-Y343 PolarHBondContact N-O 3.45Å; E333-Y343 PolarHBondContact OE1-N 3.31Å; E333-Y343 VanDerWaalsContact OE1-N 3.14Å; H339-Y343 HydrophobicContact CB-CD1 3.88Å; H339-Y343 HydrophobicContact CB-CE1 4Å; H339-Y343 AromaticContact CD2-CD1 3.91Å; H339-Y343 AromaticContact CD2-CE1 3.44Å; H339-Y343 VanDerWaalsContact CD2-CE1 3.44Å; H339-Y343 WeakPolarHBondContact CD2-CE1 3.49Å; H339-Y343 AromaticContact CD2-CZ 3.71Å; H339-Y343 AromaticContact CG-CD1 3.56Å; H339-Y343 AromaticContact CG-CE1 3.57Å; H339-Y343 AromaticContact ND1-CD1 3.71Å; H339-Y343 AromaticContact ND1-CG 3.9Å; H339-Y343 AromaticContact NE2-CE1 3.88Å; H339-Y343 AromaticContact NE2-CE2 3.99Å; H339-Y343 AromaticContact NE2-CZ 3.73Å; C341-Y343 PolarHBondContact O-N 3.44Å; Y343-L353 HydrophobicContact CD2-CD2 4.4Å
344	R	96.1	Very high	96.3	Very high	58 Å²	58	42.3 Å²	42.3	22%	0.219	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-128.2	153.9	-172.3	-60.8	178.4	-178.8	-94.8	-1.3	113.4	Q274 N329 V330 I331	Q274-R344 PolarHBondContact NE2-O 3.08Å; N329-R344 PolarHBondContact O-NH1 3.15Å; N329-R344 WeakPolarHBondContact OD1-CD 3.36Å; V330-R344 CarbonylContact O-C 3.57Å; V330-R344 WeakPolarHBondContact O-CA 3.12Å; I331-R344 HydrophobicContact CG1-CG 4.02Å
345	T	97	Very high	96.4	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.043	20%	0.196	C	C	.	.			trans	-63.3	145.1	172.4	54.4	0	0	0	0	112	V319 L327 P328 N329 V330 V332 G349 E350	V319-T345 HydrophobicContact CB-CG2 4.23Å; V319-T345 HydrophobicContact CG2-CG2 3.72Å; L327-T345 PolarHBondContact O-OG1 3.13Å; P328-T345 WeakPolarHBondContact CA-OG1 3.4Å; N329-T345 PolarHBondContact N-O 2.84Å; N329-T345 PolarHBondContact N-OG1 3.39Å; V330-T345 HydrophobicContact CB-CG2 4.23Å; V330-T345 PolarHBondContact N-OG1 2.9Å; V330-T345 PolarHBondContact O-N 2.87Å; V332-T345 HydrophobicContact CG2-CG2 3.71Å; T345-G349 WeakPolarHBondContact CG2-O 3.37Å; T345-E350 CarbonylContact C-O 3.12Å; T345-E350 WeakPolarHBondContact CA-O 3.47Å; T345-E350 WeakPolarHBondContact CB-O 3.24Å
346	N	95.4	Very high	96.6	Very high	17 Å²	17	39.1 Å²	39.1	9%	0.091	18%	0.182	C	C	.	.			trans	-75.1	-175.5	177.4	75.3	5.9	0	0	0	112.1	T182 P328 Y348 G349 E350	T182-N346 HydrophobicContact CG2-CB 4.22Å; T182-N346 VanDerWaalsContact OG1-CB 3.24Å; T182-N346 WeakPolarHBondContact OG1-CB 3.28Å; T182-N346 PolarHBondContact OG1-ND2 2.77Å; P328-N346 VanDerWaalsContact CA-O 3.3Å; P328-N346 WeakPolarHBondContact CA-O 3.39Å; P328-N346 VanDerWaalsContact CB-O 3.25Å; P328-N346 WeakPolarHBondContact CB-O 3.2Å; N346-Y348 PolarHBondContact O-N 3.07Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 WeakPolarHBondContact OD1-CA 3.3Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.41Å; N346-Y348 PolarHBondContact OD1-N 3.05Å; N346-G349 PolarHBondContact O-N 3.06Å; N346-G349 PolarHBondContact OD1-N 3.34Å; N346-E350 PolarHBondContact N-O 3.08Å; N346-E350 PolarHBondContact ND2-OE2 3.36Å; N346-E350 WeakPolarHBondContact OD1-CB 3.32Å; N346-E350 PolarHBondContact OD1-N 3.1Å
347	K	94.3	Very high	96.8	Very high	150 Å²	150	35 Å²	35	65%	0.652	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.2	178.3	62.3	170.4	167.7	163.6	0	115
348	Y	96.1	Very high	96.9	Very high	77 Å²	77	35.3 Å²	35.3	30%	0.302	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	7.9	176.4	-53.7	-62.6	0	0	0	112.4	H69 I71 Q318 P326 N346 E350	H69-Y348 AromaticContact CD2-CD2 3.68Å; H69-Y348 AromaticContact CD2-CE2 3.39Å; H69-Y348 WeakPolarHBondContact CD2-CE2 3.08Å; I71-Y348 HydrophobicContact CG1-CG 4.33Å; Q318-Y348 PolarHBondContact NE2-O 3.13Å; P326-Y348 VanDerWaalsContact CB-O 3.29Å; P326-Y348 WeakPolarHBondContact CB-O 3.38Å; N346-Y348 PolarHBondContact O-N 3.07Å; N346-Y348 VanDerWaalsContact O-N 3.08Å; N346-Y348 WeakPolarHBondContact OD1-CA 3.3Å; N346-Y348 WeakPolarHBondContact OD1-CB 3.41Å; N346-Y348 PolarHBondContact OD1-N 3.05Å; Y348-E350 PolarHBondContact O-N 2.95Å
349	G	96.7	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	S	Bend	trans	72	12.1	-175.4	0	0	0	0	0	113.7	Q318 V319 L327 T345 N346	Q318-G349 CarbonylContact C-O 3.58Å; Q318-G349 VanDerWaalsContact CA-O 3.28Å; Q318-G349 WeakPolarHBondContact CA-O 3.4Å; V319-G349 PolarHBondContact N-O 3.14Å; L327-G349 WeakPolarHBondContact O-CA 2.99Å; T345-G349 WeakPolarHBondContact CG2-O 3.37Å; N346-G349 PolarHBondContact O-N 3.06Å; N346-G349 PolarHBondContact OD1-N 3.34Å
350	E	97.6	Very high	97.1	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	146	-178.4	-61.5	173.3	103	0	0	112.5	H69 I71 G72 G317 Q318 T345 N346 Y348 Y352	H69-E350 IonicContact CD2-OE2 2.75Å; H69-E350 IonicContact CE1-OE2 3.01Å; H69-E350 IonicContact NE2-OE1 3.9Å; H69-E350 IonicContact NE2-OE2 3.93Å; H69-E350 PolarHBondContact NE2-OE2 3.4Å; I71-E350 WeakPolarHBondContact CA-OE1 3.42Å; I71-E350 HydrophobicContact CG1-CG 4.43Å; I71-E350 HydrophobicContact CG2-CG 4.29Å; I71-E350 WeakPolarHBondContact CG2-OE1 3.43Å; G72-E350 PolarHBondContact N-OE1 3.21Å; G317-E350 CarbonylContact O-C 3.5Å; G317-E350 WeakPolarHBondContact O-CA 3.4Å; Q318-E350 HydrophobicContact CG-CB 4.36Å; Q318-E350 HydrophobicContact CG-CG 3.52Å; T345-E350 CarbonylContact C-O 3.12Å; T345-E350 WeakPolarHBondContact CA-O 3.47Å; T345-E350 WeakPolarHBondContact CB-O 3.24Å; N346-E350 PolarHBondContact N-O 3.08Å; N346-E350 PolarHBondContact ND2-OE2 3.36Å; N346-E350 WeakPolarHBondContact OD1-CB 3.32Å; N346-E350 PolarHBondContact OD1-N 3.1Å; Y348-E350 PolarHBondContact O-N 2.95Å; E350-Y352 HydrophobicContact CB-CE2 3.99Å; E350-Y352 PolarHBondContact OE1-OH 3.28Å; E350-Y352 VanDerWaalsContact OE1-OH 3.13Å
351	Y	98.5	Very high	97.2	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	151	168.2	72.5	-86.8	0	0	0	110.4	V315 K316 G317 V319 V332 L353 I362 K390 I392	V315-Y351 HydrophobicContact CG1-CE2 4.28Å; V315-Y351 HydrophobicContact CG2-CE2 4.33Å; K316-Y351 VanDerWaalsContact CA-O 3.22Å; K316-Y351 WeakPolarHBondContact CA-O 3.44Å; K316-Y351 WeakPolarHBondContact CB-O 3.36Å; G317-Y351 PolarHBondContact N-O 3.1Å; G317-Y351 VanDerWaalsContact N-O 3.11Å; G317-Y351 WeakPolarHBondContact O-CD1 3.26Å; G317-Y351 PolarHBondContact O-N 2.67Å; V319-Y351 HydrophobicContact CG2-CD1 4.07Å; V319-Y351 HydrophobicContact CG2-CE1 4.41Å; V332-Y351 HydrophobicContact CB-CD2 4.49Å; V332-Y351 HydrophobicContact CB-CG 4.18Å; V332-Y351 HydrophobicContact CG1-CD1 4.13Å; V332-Y351 HydrophobicContact CG1-CD2 3.63Å; V332-Y351 HydrophobicContact CG1-CE1 4.47Å; V332-Y351 HydrophobicContact CG1-CE2 4Å; V332-Y351 HydrophobicContact CG1-CG 3.68Å; V332-Y351 HydrophobicContact CG2-CD1 4.49Å; V332-Y351 HydrophobicContact CG2-CG 4.39Å; Y351-L353 HydrophobicContact CD2-CD1 4.21Å; Y351-L353 HydrophobicContact CD2-CG 4.08Å; Y351-L353 HydrophobicContact CE2-CD1 4.34Å; Y351-I362 HydrophobicContact CE2-CD1 4.37Å; Y351-K390 WeakPolarHBondContact CE1-O 3.39Å; Y351-K390 PolarHBondContact OH-O 2.77Å; Y351-I392 HydrophobicContact CE1-CD1 3.84Å; Y351-I392 HydrophobicContact CE1-CG1 4.19Å
352	Y	98.6	Very high	97.3	Very high	26 Å²	26	32.7 Å²	32.7	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	125.4	174.3	-63.2	-99.1	0	0	0	107.8	G72 I73 P74 T182 V184 K316 E350	G72-Y352 PolarHBondContact N-OH 2.86Å; I73-Y352 PolarHBondContact O-OH 3.03Å; P74-Y352 HydrophobicContact CB-CD1 4.16Å; P74-Y352 HydrophobicContact CB-CE1 3.82Å; T182-Y352 HydrophobicContact CG2-CD2 4.23Å; T182-Y352 HydrophobicContact CG2-CE2 4.44Å; V184-Y352 HydrophobicContact CG2-CD1 3.79Å; V184-Y352 HydrophobicContact CG2-CD2 3.98Å; V184-Y352 HydrophobicContact CG2-CE1 4.35Å; V184-Y352 HydrophobicContact CG2-CG 3.56Å; K316-Y352 HydrophobicContact CB-CD1 3.56Å; K316-Y352 HydrophobicContact CB-CE1 3.94Å; K316-Y352 HydrophobicContact CB-CG 4.17Å; K316-Y352 HydrophobicContact CD-CD1 3.96Å; K316-Y352 HydrophobicContact CD-CE1 3.66Å; K316-Y352 HydrophobicContact CG-CD1 4.4Å; K316-Y352 HydrophobicContact CG-CE1 4.41Å; E350-Y352 HydrophobicContact CB-CE2 3.99Å; E350-Y352 PolarHBondContact OE1-OH 3.28Å; E350-Y352 VanDerWaalsContact OE1-OH 3.13Å
353	L	98.6	Very high	97.4	Very high	13 Å²	13	32.1 Å²	32.1	7%	0.068	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	108.8	178.1	-62.4	175.9	0	0	0	108.6	G314 V315 V332 V334 Y343 Y351 L355 I362	G314-L353 WeakPolarHBondContact CA-O 3.43Å; V315-L353 HydrophobicContact CG1-CB 3.97Å; V315-L353 HydrophobicContact CG1-CD1 4.4Å; V315-L353 PolarHBondContact N-O 3.26Å; V315-L353 PolarHBondContact O-N 3.09Å; V332-L353 HydrophobicContact CG1-CD1 4.27Å; V334-L353 HydrophobicContact CG2-CD1 4.36Å; Y343-L353 HydrophobicContact CD2-CD2 4.4Å; Y351-L353 HydrophobicContact CD2-CD1 4.21Å; Y351-L353 HydrophobicContact CD2-CG 4.08Å; Y351-L353 HydrophobicContact CE2-CD1 4.34Å; L353-L355 HydrophobicContact CB-CD1 4.16Å; L353-L355 HydrophobicContact CB-CG 4.26Å; L353-L355 PolarHBondContact O-N 3.3Å; L353-I362 HydrophobicContact CD1-CD1 4.27Å; L353-I362 HydrophobicContact CD1-CG1 4.47Å; L353-I362 HydrophobicContact CD1-CG2 4.5Å
354	L	98.6	Very high	97.4	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.031	16%	0.163	C	C	.	.			trans	-72.9	117.5	173.2	-63.1	177.3	0	0	0	108.7	V184 L185 V221 F276 L313	V184-L354 HydrophobicContact CG1-CD1 4.17Å; V184-L354 HydrophobicContact CG1-CD2 3.82Å; V184-L354 HydrophobicContact CG1-CG 3.9Å; L185-L354 HydrophobicContact CB-CD1 4.14Å; L185-L354 HydrophobicContact CD1-CD1 3.95Å; V221-L354 HydrophobicContact CG1-CB 4.11Å; F276-L354 HydrophobicContact CB-CD1 3.86Å; F276-L354 HydrophobicContact CD1-CD1 4.33Å; F276-L354 HydrophobicContact CD2-CB 4.44Å; F276-L354 HydrophobicContact CD2-CD1 4.07Å; F276-L354 HydrophobicContact CE2-CB 4.34Å; F276-L354 HydrophobicContact CG-CD1 3.84Å; L313-L354 HydrophobicContact CB-CD2 4.09Å
355	L	98.4	Very high	97.3	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.164	C	C	.	.			trans	-143.9	146.8	-175.2	-65.2	172.3	0	0	0	108.7	G314 V315 V334 L353 Y360 I378	G314-L355 VanDerWaalsContact CA-O 3.29Å; G314-L355 WeakPolarHBondContact CA-O 3.36Å; G314-L355 PolarHBondContact N-O 3.15Å; V315-L355 HydrophobicContact CG1-CD1 4.08Å; V334-L355 HydrophobicContact CG2-CD1 3.64Å; V334-L355 HydrophobicContact CG2-CD2 3.84Å; V334-L355 HydrophobicContact CG2-CG 4.36Å; L353-L355 HydrophobicContact CB-CD1 4.16Å; L353-L355 HydrophobicContact CB-CG 4.26Å; L353-L355 PolarHBondContact O-N 3.3Å; L355-Y360 HydrophobicContact CB-CE2 4.16Å; L355-Y360 HydrophobicContact CD1-CD1 4.28Å; L355-Y360 HydrophobicContact CD1-CD2 4.19Å; L355-Y360 HydrophobicContact CD1-CE1 4.45Å; L355-Y360 HydrophobicContact CD1-CE2 4.37Å; L355-Y360 HydrophobicContact CD1-CG 4.13Å; L355-Y360 HydrophobicContact CD2-CD1 4.48Å; L355-Y360 HydrophobicContact CD2-CE1 4.08Å; L355-I378 HydrophobicContact CB-CD1 3.35Å; L355-I378 HydrophobicContact CD1-CD1 3.56Å; L355-I378 HydrophobicContact CG-CD1 4.09Å
356	L	98.1	Very high	97	Very high	31 Å²	31	30.7 Å²	30.7	16%	0.162	16%	0.163	C	C	.	.			trans	-73.9	168	172.3	-62.8	-174.6	0	0	0	111	D220 V221 Y224 G358 Y360	D220-L356 HydrophobicContact CB-CD1 4.15Å; V221-L356 HydrophobicContact CG2-CG 4.07Å; Y224-L356 HydrophobicContact CD1-CD2 3.81Å; Y224-L356 HydrophobicContact CD2-CD2 3.86Å; Y224-L356 HydrophobicContact CE1-CD2 4.41Å; Y224-L356 HydrophobicContact CE2-CD2 4.43Å; Y224-L356 HydrophobicContact CG-CD2 3.51Å; L356-G358 PolarHBondContact O-N 2.85Å; L356-Y360 VanDerWaalsContact O-CE2 3.31Å; L356-Y360 WeakPolarHBondContact O-CE2 3.43Å; L356-Y360 PolarHBondContact O-OH 2.88Å
357	P	98	Very high	96.3	Very high	45 Å²	45	32.8 Å²	32.8	29%	0.292	18%	0.177	S	C	.	.	S	Bend	trans	-53.2	133.7	170	-28.1	37.4	0	0	0	111.9	E380	P357-E380 VanDerWaalsContact CB-CD 3.48Å; P357-E380 HydrophobicContact CB-CG 4.24Å; P357-E380 WeakPolarHBondContact CB-OE1 3.28Å
358	G	97.5	Very high	95.7	Very high	27 Å²	27	29.8 Å²	29.8	28%	0.278	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	174.7	-173.3	0	0	0	0	0	114.3	L356 Y360 I377 I378	L356-G358 PolarHBondContact O-N 2.85Å; G358-Y360 WeakPolarHBondContact O-CD2 3.42Å; G358-I377 WeakPolarHBondContact O-CA 3.45Å; G358-I378 PolarHBondContact N-O 3.02Å; G358-I378 VanDerWaalsContact N-O 3.16Å; G358-I378 PolarHBondContact O-N 3.39Å
359	S	97.8	Very high	95.1	Very high	75 Å²	75	29.2 Å²	29.2	52%	0.524	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.8	174.7	175.4	0	0	0	0	109.7	K375	S359-K375 VanDerWaalsContact OG-CE 3.24Å; S359-K375 WeakPolarHBondContact OG-CE 3.47Å
360	Y	98.3	Very high	94.7	Very high	27 Å²	27	36.1 Å²	36.1	11%	0.106	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.7	-173.7	-60.5	-85.8	0	0	0	111.5	V334 L355 L356 G358 K375 V376 I378	V334-Y360 HydrophobicContact CG1-CD1 3.74Å; V334-Y360 HydrophobicContact CG1-CG 4.45Å; V334-Y360 HydrophobicContact CG2-CD1 4.32Å; L355-Y360 HydrophobicContact CB-CE2 4.16Å; L355-Y360 HydrophobicContact CD1-CD1 4.28Å; L355-Y360 HydrophobicContact CD1-CD2 4.19Å; L355-Y360 HydrophobicContact CD1-CE1 4.45Å; L355-Y360 HydrophobicContact CD1-CE2 4.37Å; L355-Y360 HydrophobicContact CD1-CG 4.13Å; L355-Y360 HydrophobicContact CD2-CD1 4.48Å; L355-Y360 HydrophobicContact CD2-CE1 4.08Å; L356-Y360 VanDerWaalsContact O-CE2 3.31Å; L356-Y360 WeakPolarHBondContact O-CE2 3.43Å; L356-Y360 PolarHBondContact O-OH 2.88Å; G358-Y360 WeakPolarHBondContact O-CD2 3.42Å; Y360-K375 WeakPolarHBondContact O-CA 3.35Å; Y360-V376 PolarHBondContact N-O 3.15Å; Y360-V376 PolarHBondContact O-N 2.82Å; Y360-I378 HydrophobicContact CD2-CD1 3.56Å; Y360-I378 HydrophobicContact CD2-CG1 4.05Å; Y360-I378 HydrophobicContact CE2-CB 4.38Å; Y360-I378 HydrophobicContact CE2-CD1 3.5Å; Y360-I378 HydrophobicContact CE2-CG1 4.16Å
361	I	98.3	Very high	94.4	Very high	70 Å²	70	39.3 Å²	39.3	36%	0.359	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.7	165.6	-62	174.2	0	0	0	106.6	V334 Q335 L373	V334-I361 WeakPolarHBondContact CA-O 3.48Å; Q335-I361 HydrophobicContact CB-CB 4.31Å; Q335-I361 HydrophobicContact CB-CG2 4.4Å; Q335-I361 PolarHBondContact N-O 3.3Å; I361-L373 HydrophobicContact CG2-CB 4.23Å; I361-L373 HydrophobicContact CG2-CD2 4.26Å
362	I	98.1	Very high	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.9	175.8	-59.7	176.1	0	0	0	107.9	V315 V332 E333 Y351 L353 V364 L373 T374 V376	V315-I362 HydrophobicContact CG1-CD1 3.91Å; V332-I362 HydrophobicContact CG1-CG2 3.53Å; E333-I362 CarbonylContact O-C 3.48Å; E333-I362 WeakPolarHBondContact O-CA 3.42Å; Y351-I362 HydrophobicContact CE2-CD1 4.37Å; L353-I362 HydrophobicContact CD1-CD1 4.27Å; L353-I362 HydrophobicContact CD1-CG1 4.47Å; L353-I362 HydrophobicContact CD1-CG2 4.5Å; I362-V364 HydrophobicContact CG2-CG2 4.21Å; I362-L373 WeakPolarHBondContact O-CA 3.43Å; I362-T374 HydrophobicContact CB-CG2 3.82Å; I362-T374 HydrophobicContact CG2-CG2 4.37Å; I362-T374 PolarHBondContact N-O 3.02Å; I362-T374 PolarHBondContact O-N 2.98Å; I362-V376 HydrophobicContact CD1-CB 4.25Å; I362-V376 HydrophobicContact CD1-CG2 3.6Å; I362-V376 HydrophobicContact CG1-CG2 4.28Å
363	N	96.7	Very high	94.1	Very high	23 Å²	23	45 Å²	45	12%	0.123	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121.5	171.4	-66.4	-2.2	0	0	0	108.8	V332 E333 L373	V332-N363 WeakPolarHBondContact CA-O 3.35Å; E333-N363 PolarHBondContact N-O 3.22Å; E333-N363 VanDerWaalsContact N-O 3.13Å; E333-N363 PolarHBondContact O-N 3.01Å; N363-L373 HydrophobicContact CB-CD2 4.4Å; N363-L373 WeakPolarHBondContact OD1-CD2 3.37Å
364	V	97.1	Very high	94	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	111.4	172.6	-175.6	0	0	0	0	108.5	V319 V330 I331 V332 I362 P371 H372 I392 L394	V319-V364 HydrophobicContact CG1-CG1 4Å; V319-V364 HydrophobicContact CG2-CG1 4.35Å; V330-V364 HydrophobicContact CG1-CG1 3.47Å; V330-V364 VanDerWaalsContact CG1-CG1 3.47Å; I331-V364 CarbonylContact O-C 3.52Å; I331-V364 VanDerWaalsContact O-CA 3.31Å; I331-V364 WeakPolarHBondContact O-CA 3.29Å; V332-V364 HydrophobicContact CG1-CG2 4.39Å; V332-V364 HydrophobicContact CG2-CG1 4.29Å; V332-V364 HydrophobicContact CG2-CG2 4.37Å; I362-V364 HydrophobicContact CG2-CG2 4.21Å; V364-P371 WeakPolarHBondContact O-CA 3.44Å; V364-H372 HydrophobicContact CB-CB 4.31Å; V364-H372 PolarHBondContact N-O 2.86Å; V364-H372 PolarHBondContact O-N 3.49Å; V364-I392 HydrophobicContact CG2-CD1 3.5Å; V364-I392 VanDerWaalsContact CG2-CD1 3.5Å; V364-I392 HydrophobicContact CG2-CG2 4.2Å; V364-L394 HydrophobicContact CB-CD2 4.42Å; V364-L394 HydrophobicContact CG1-CD1 4.4Å; V364-L394 HydrophobicContact CG1-CD2 3.98Å
365	T	94.6	Very high	93.9	Very high	41 Å²	41	51.4 Å²	51.4	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	108.9	-176.9	-54.1	0	0	0	0	110.3	I331 P371	I331-T365 PolarHBondContact N-O 2.94Å; I331-T365 PolarHBondContact O-N 3.46Å; T365-P371 HydrophobicContact CG2-CG 4.5Å
366	V	90.2	Very high	93.9	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	31%	0.307	C	S	.	.			trans	-89.2	131.6	170.1	-176.3	0	0	0	0	108	V330 G368 H369 L394 F396 I403	V330-V366 HydrophobicContact CG1-CG2 3.78Å; V330-V366 HydrophobicContact CG2-CG2 3.98Å; V366-G368 PolarHBondContact O-N 2.93Å; V366-H369 HydrophobicContact CB-CB 4.27Å; V366-H369 PolarHBondContact O-N 3.14Å; V366-L394 HydrophobicContact CG2-CD1 3.35Å; V366-F396 HydrophobicContact CB-CE2 4.12Å; V366-F396 HydrophobicContact CB-CZ 4.11Å; V366-F396 HydrophobicContact CG1-CE2 4.34Å; V366-F396 HydrophobicContact CG2-CE2 3.97Å; V366-F396 HydrophobicContact CG2-CZ 3.89Å; V366-I403 HydrophobicContact CG1-CD1 4.18Å
367	P	80.7	Confident	93.9	Very high	61 Å²	61	55.6 Å²	55.6	40%	0.396	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	128.6	176.9	-27.5	35.2	0	0	0	112.2
368	G	81	Confident	93.8	Very high	87 Å²	87	54 Å²	54	90%	0.897	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	2.7	-179.4	0	0	0	0	0	115.7	V366	V366-G368 PolarHBondContact O-N 2.93Å
369	H	84.9	Confident	93.5	Very high	66 Å²	66	55.8 Å²	55.8	31%	0.306	32%	0.323	S	S	.	.	S	Bend	trans	-123.5	157.1	177.4	-66	-98.9	0	0	0	112.1	V366 F396	V366-H369 HydrophobicContact CB-CB 4.27Å; V366-H369 PolarHBondContact O-N 3.14Å; H369-F396 HydrophobicContact CB-CE1 4.09Å; H369-F396 HydrophobicContact CB-CE2 4.12Å; H369-F396 HydrophobicContact CB-CZ 3.67Å; H369-F396 AromaticContact CD2-CE2 3.85Å; H369-F396 AromaticContact CE1-CD2 3.4Å; H369-F396 VanDerWaalsContact CE1-CD2 3.4Å; H369-F396 WeakPolarHBondContact CE1-CD2 3.06Å; H369-F396 AromaticContact CE1-CE2 3.69Å; H369-F396 AromaticContact CE1-CG 3.89Å; H369-F396 AromaticContact CG-CE2 3.57Å; H369-F396 AromaticContact CG-CZ 3.64Å; H369-F396 AromaticContact ND1-CD1 3.9Å; H369-F396 AromaticContact ND1-CD2 3.44Å; H369-F396 WeakPolarHBondContact ND1-CD2 3.37Å; H369-F396 AromaticContact ND1-CE1 3.93Å; H369-F396 AromaticContact ND1-CE2 3.46Å; H369-F396 WeakPolarHBondContact ND1-CE2 3.11Å; H369-F396 AromaticContact ND1-CG 3.67Å; H369-F396 AromaticContact ND1-CZ 3.71Å; H369-F396 AromaticContact NE2-CD2 3.97Å; H369-F396 AromaticContact NE2-CE2 3.93Å
370	D	87.5	Confident	93	Very high	144 Å²	144	60 Å²	60	77%	0.77	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-64.8	144.3	170.5	-71.4	-35.2	0	0	0	111.1	H372	D370-H372 PolarHBondContact O-N 3.44Å
371	P	91.3	Very high	92.1	Very high	71 Å²	71	67.1 Å²	67.1	46%	0.461	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-59.2	129.5	177.3	-23.8	33.6	0	0	0	112.4	V364 T365	V364-P371 WeakPolarHBondContact O-CA 3.44Å; T365-P371 HydrophobicContact CG2-CG 4.5Å
372	H	94.8	Very high	91.1	Very high	54 Å²	54	66.9 Å²	66.9	25%	0.25	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.9	170.5	-178.4	82.7	0	0	0	110	V364 D370 L394	V364-H372 HydrophobicContact CB-CB 4.31Å; V364-H372 PolarHBondContact N-O 2.86Å; V364-H372 PolarHBondContact O-N 3.49Å; D370-H372 PolarHBondContact O-N 3.44Å; H372-L394 HydrophobicContact CB-CD2 3.65Å
373	L	95.8	Very high	89.8	Confident	98 Å²	98	75.8 Å²	75.8	51%	0.513	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.6	-178.1	-55.8	-178.4	0	0	0	110.4	I361 I362 N363	I361-L373 HydrophobicContact CG2-CB 4.23Å; I361-L373 HydrophobicContact CG2-CD2 4.26Å; I362-L373 WeakPolarHBondContact O-CA 3.43Å; N363-L373 HydrophobicContact CB-CD2 4.4Å; N363-L373 WeakPolarHBondContact OD1-CD2 3.37Å
374	T	96.2	Very high	89.3	Confident	21 Å²	21	80.7 Å²	80.7	13%	0.129	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	132.2	173.2	-160.8	0	0	0	0	111.4	I362 I392	I362-T374 HydrophobicContact CB-CG2 3.82Å; I362-T374 HydrophobicContact CG2-CG2 4.37Å; I362-T374 PolarHBondContact N-O 3.02Å; I362-T374 PolarHBondContact O-N 2.98Å; T374-I392 HydrophobicContact CG2-CD1 3.73Å; T374-I392 HydrophobicContact CG2-CG1 4.23Å
375	K	97.3	Very high	89	Confident	134 Å²	134	83.3 Å²	83.3	58%	0.583	45%	0.45	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.6	177.7	-173.1	177.3	-179.6	177.8	0	110.1	S359 Y360	S359-K375 VanDerWaalsContact OG-CE 3.24Å; S359-K375 WeakPolarHBondContact OG-CE 3.47Å; Y360-K375 WeakPolarHBondContact O-CA 3.35Å
376	V	97.4	Very high	89.1	Confident	6 Å²	6	82.6 Å²	82.6	4%	0.036	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	138.2	176.3	179.1	0	0	0	0	109.6	V315 Y360 I362 I378 L388 K390	V315-V376 HydrophobicContact CB-CG1 4.29Å; V315-V376 HydrophobicContact CG2-CG1 4.04Å; Y360-V376 PolarHBondContact N-O 3.15Å; Y360-V376 PolarHBondContact O-N 2.82Å; I362-V376 HydrophobicContact CD1-CB 4.25Å; I362-V376 HydrophobicContact CD1-CG2 3.6Å; I362-V376 HydrophobicContact CG1-CG2 4.28Å; V376-I378 HydrophobicContact CG1-CG1 4.15Å; V376-L388 HydrophobicContact CG1-CD2 3.45Å; V376-L388 VanDerWaalsContact CG1-CD2 3.45Å; V376-K390 HydrophobicContact CG2-CD 4.47Å; V376-K390 HydrophobicContact CG2-CG 3.91Å
377	I	97.5	Very high	89.3	Confident	114 Å²	114	82.9 Å²	82.9	59%	0.585	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117	115.9	173.1	-63.3	163	0	0	0	107.3	G358 L388	G358-I377 WeakPolarHBondContact O-CA 3.45Å; I377-L388 VanDerWaalsContact O-CD2 3.28Å; I377-L388 WeakPolarHBondContact O-CD2 3.4Å
378	I	96.6	Very high	90.1	Very high	11 Å²	11	83 Å²	83	6%	0.056	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.8	-179.2	-60.4	172.2	0	0	0	107.9	L355 G358 Y360 V376 L388	L355-I378 HydrophobicContact CB-CD1 3.35Å; L355-I378 HydrophobicContact CD1-CD1 3.56Å; L355-I378 HydrophobicContact CG-CD1 4.09Å; G358-I378 PolarHBondContact N-O 3.02Å; G358-I378 VanDerWaalsContact N-O 3.16Å; G358-I378 PolarHBondContact O-N 3.39Å; Y360-I378 HydrophobicContact CD2-CD1 3.56Å; Y360-I378 HydrophobicContact CD2-CG1 4.05Å; Y360-I378 HydrophobicContact CE2-CB 4.38Å; Y360-I378 HydrophobicContact CE2-CD1 3.5Å; Y360-I378 HydrophobicContact CE2-CG1 4.16Å; V376-I378 HydrophobicContact CG1-CG1 4.15Å; I378-L388 HydrophobicContact CG1-CD2 4.47Å
379	P	92.1	Very high	90.9	Very high	65 Å²	65	86 Å²	86	42%	0.422	44%	0.435	S	S	.	.			trans	-73.2	153.4	-174.8	30.4	-35.6	0	0	0	112.5	K381	P379-K381 VanDerWaalsContact C-N 3.25Å; P379-K381 PolarHBondContact O-N 3.23Å
380	E	86.7	Confident	91.5	Very high	165 Å²	165	86.6 Å²	86.6	77%	0.771	44%	0.436	S	S	*	.	S	Bend	trans	-62.6	-28.2	175.5	-72.3	-66.2	159.4	0	0	113.9	P357	P357-E380 VanDerWaalsContact CB-CD 3.48Å; P357-E380 HydrophobicContact CB-CG 4.24Å; P357-E380 WeakPolarHBondContact CB-OE1 3.28Å
381	K	79.3	Confident	92	Very high	176 Å²	176	84.1 Å²	84.1	77%	0.765	42%	0.423	S	S	*	.			trans	-140.7	120.9	-179.9	-167	173.6	-176.9	179	0	110.2	P379	P379-K381 VanDerWaalsContact C-N 3.25Å; P379-K381 PolarHBondContact O-N 3.23Å
382	S	76.3	Confident	92.3	Very high	65 Å²	65	81 Å²	81	46%	0.455	40%	0.402	S	S	.	.			trans	-83.1	134.1	164.4	-170	0	0	0	0	109.5	N384 S386	S382-N384 VanDerWaalsContact C-N 3.32Å; S382-N384 PolarHBondContact OG-N 3.25Å; S382-N384 PolarHBondContact OG-O 3.09Å; S382-S386 PolarHBondContact OG-O 3.04Å
383	Q	71.4	Confident	92.4	Very high	186 Å²	186	83.7 Å²	83.7	87%	0.869	42%	0.418	S	S	*	.	S	Bend	trans	-81.6	-16.1	173.9	-65.5	-177.9	1.1	0	0	112.2
384	N	86	Confident	92.3	Very high	127 Å²	127	79 Å²	79	68%	0.679	39%	0.394	S	S	*	.	S	Bend	trans	-129.2	156.5	-175.5	-68.3	-22.4	0	0	0	111.1	S382 S386	S382-N384 VanDerWaalsContact C-N 3.32Å; S382-N384 PolarHBondContact OG-N 3.25Å; S382-N384 PolarHBondContact OG-O 3.09Å; N384-S386 PolarHBondContact O-N 3.34Å
385	F	92.4	Very high	91.9	Very high	55 Å²	55	82.3 Å²	82.3	24%	0.241	42%	0.415	C	S	.	.	S	Bend	trans	-72.7	72.4	169.6	-66.5	-28.9	0	0	0	111.3	D109 N112 L113 S116 K309 H312	D109-F385 WeakPolarHBondContact O-CE2 3.28Å; N112-F385 HydrophobicContact CB-CD2 3.8Å; N112-F385 HydrophobicContact CB-CE2 3.94Å; L113-F385 HydrophobicContact CB-CD2 4.17Å; L113-F385 HydrophobicContact CB-CE2 4.15Å; L113-F385 HydrophobicContact CD1-CD2 4.41Å; S116-F385 WeakPolarHBondContact CB-O 3.21Å; S116-F385 WeakPolarHBondContact OG-CB 3.17Å; K309-F385 HydrophobicContact CD-CE1 3.8Å; K309-F385 HydrophobicContact CD-CZ 3.86Å; K309-F385 HydrophobicContact CG-CD1 4.44Å; K309-F385 HydrophobicContact CG-CE1 3.93Å; K309-F385 HydrophobicContact CG-CZ 4.12Å; H312-F385 PolarHBondContact CE1-O 2.86Å; H312-F385 VanDerWaalsContact CG-C 3.5Å; H312-F385 PolarHBondContact ND1-O 2.96Å
386	S	94.9	Very high	91.2	Very high	27 Å²	27	78 Å²	78	19%	0.189	40%	0.397	C	S	.	.	S	Bend	trans	-160.8	135.2	173.2	178.6	0	0	0	0	109.3	K316 S382 N384	K316-S386 WeakPolarHBondContact CE-OG 3.44Å; K316-S386 PolarHBondContact NZ-OG 3.12Å; S382-S386 PolarHBondContact OG-O 3.04Å; N384-S386 PolarHBondContact O-N 3.34Å
387	A	96.3	Very high	90.1	Very high	8 Å²	8	83.6 Å²	83.6	7%	0.066	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-57.8	158.8	162.9	0	0	0	0	0	110.9	H312 L313 K316 K389	H312-A387 WeakPolarHBondContact O-CA 3.49Å; H312-A387 WeakPolarHBondContact O-CB 3.05Å; H312-A387 PolarHBondContact O-N 3.07Å; L313-A387 WeakPolarHBondContact O-CB 3.42Å; K316-A387 HydrophobicContact CB-CB 4.46Å; K316-A387 HydrophobicContact CD-CB 4.08Å; K316-A387 HydrophobicContact CG-CB 4.03Å; A387-K389 PolarHBondContact O-N 3.14Å
388	L	97.3	Very high	88.4	Confident	62 Å²	62	78.3 Å²	78.3	33%	0.325	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	125.3	174.7	178.3	68	0	0	0	109.2	G314 V315 K316 V376 I377 I378	G314-L388 WeakPolarHBondContact O-CB 3.35Å; G314-L388 PolarHBondContact O-N 3.1Å; V315-L388 CarbonylContact C-O 3.54Å; V315-L388 VanDerWaalsContact CA-O 3.28Å; V315-L388 WeakPolarHBondContact CA-O 3.2Å; V315-L388 HydrophobicContact CB-CB 4.47Å; V315-L388 WeakPolarHBondContact CG2-O 3.15Å; K316-L388 PolarHBondContact N-O 3.49Å; V376-L388 HydrophobicContact CG1-CD2 3.45Å; V376-L388 VanDerWaalsContact CG1-CD2 3.45Å; I377-L388 VanDerWaalsContact O-CD2 3.28Å; I377-L388 WeakPolarHBondContact O-CD2 3.4Å; I378-L388 HydrophobicContact CG1-CD2 4.47Å
389	K	97.1	Very high	86.6	Confident	151 Å²	151	84.1 Å²	84.1	66%	0.657	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	127.6	176.1	-67.9	-175.2	179.8	-176.4	0	110.2	K316 A387	K316-K389 HydrophobicContact CG-CG 4.47Å; K316-K389 CarbonylContact O-C 3.48Å; K316-K389 VanDerWaalsContact O-CA 3.3Å; K316-K389 WeakPolarHBondContact O-CA 3.2Å; A387-K389 PolarHBondContact O-N 3.14Å
390	K	97.8	Very high	84.7	Confident	79 Å²	79	86 Å²	86	34%	0.343	43%	0.429	S	S	.	.			trans	-144.6	98.1	176.4	-177.1	67.7	174.2	178	0	109.7	V315 K316 Y351 V376	V315-K390 HydrophobicContact CG2-CB 3.69Å; K316-K390 PolarHBondContact O-N 2.9Å; Y351-K390 WeakPolarHBondContact CE1-O 3.39Å; Y351-K390 PolarHBondContact OH-O 2.77Å; V376-K390 HydrophobicContact CG2-CD 4.47Å; V376-K390 HydrophobicContact CG2-CG 3.91Å
391	D	98.1	Very high	83	Confident	92 Å²	92	86.3 Å²	86.3	49%	0.492	44%	0.436	S	S	.	.			trans	-77.8	149.9	169.7	-63.6	-32.8	0	0	0	110.4	G317 Q318 F320	G317-D391 WeakPolarHBondContact CA-OD1 3.06Å; Q318-D391 PolarHBondContact N-OD1 3.1Å; Q318-D391 WeakPolarHBondContact O-CA 3.42Å; F320-D391 HydrophobicContact CD2-CB 4.4Å; F320-D391 HydrophobicContact CE2-CB 3.93Å
392	I	97.8	Very high	81.7	Confident	5 Å²	5	81.2 Å²	81.2	3%	0.026	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119	-175.7	-55.5	178.1	0	0	0	108.7	Q318 V319 F320 Y351 V364 T374 L394	Q318-I392 PolarHBondContact O-N 3.02Å; V319-I392 CarbonylContact C-O 3.54Å; V319-I392 WeakPolarHBondContact CA-O 3.41Å; V319-I392 HydrophobicContact CG2-CB 4.37Å; V319-I392 HydrophobicContact CG2-CD1 4.48Å; F320-I392 PolarHBondContact N-O 3.26Å; Y351-I392 HydrophobicContact CE1-CD1 3.84Å; Y351-I392 HydrophobicContact CE1-CG1 4.19Å; V364-I392 HydrophobicContact CG2-CD1 3.5Å; V364-I392 VanDerWaalsContact CG2-CD1 3.5Å; V364-I392 HydrophobicContact CG2-CG2 4.2Å; T374-I392 HydrophobicContact CG2-CD1 3.73Å; T374-I392 HydrophobicContact CG2-CG1 4.23Å; I392-L394 HydrophobicContact CG2-CD2 4.07Å
393	L	95.7	Very high	80.6	Confident	110 Å²	110	78.8 Å²	78.8	58%	0.576	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.4	174.2	-171.9	71.3	0	0	0	109.1	F320 D321	F320-L393 HydrophobicContact CB-CD1 3.9Å; D321-L393 WeakPolarHBondContact O-CD1 3.43Å
394	L	93.7	Very high	79.6	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	38%	0.384	C	S	.	.			trans	-81.9	144.4	179.9	-61.6	-179	0	0	0	111.3	V319 F320 Q322 L327 V364 V366 H372 I392 F396	V319-L394 HydrophobicContact CG1-CD1 3.85Å; V319-L394 HydrophobicContact CG1-CG 4.01Å; F320-L394 PolarHBondContact O-N 2.82Å; Q322-L394 PolarHBondContact N-O 3.36Å; L327-L394 HydrophobicContact CD1-CD1 3.75Å; V364-L394 HydrophobicContact CB-CD2 4.42Å; V364-L394 HydrophobicContact CG1-CD1 4.4Å; V364-L394 HydrophobicContact CG1-CD2 3.98Å; V366-L394 HydrophobicContact CG2-CD1 3.35Å; H372-L394 HydrophobicContact CB-CD2 3.65Å; I392-L394 HydrophobicContact CG2-CD2 4.07Å; L394-F396 HydrophobicContact CB-CE1 4.28Å; L394-F396 HydrophobicContact CB-CE2 4.32Å; L394-F396 HydrophobicContact CB-CZ 4.17Å; L394-F396 HydrophobicContact CD1-CE2 3.94Å; L394-F396 HydrophobicContact CD1-CZ 3.77Å; L394-F396 HydrophobicContact CG-CZ 4.43Å; L394-F396 PolarHBondContact O-N 2.77Å
395	P	89.1	Confident	77.7	Confident	90 Å²	90	74.1 Å²	74.1	58%	0.584	39%	0.394	S	S	*	.	S	Bend	trans	-79.7	17.2	-175.5	34.7	-37	0	0	0	113.6
396	F	82.7	Confident	75.5	Confident	42 Å²	42	75.7 Å²	75.7	18%	0.184	41%	0.412	C	S	.	.	S	Bend	trans	-142.7	161.4	-178.6	52.7	-100.6	0	0	0	110.8	Q322 V366 H369 L394	Q322-F396 PolarHBondContact N-O 3.04Å; V366-F396 HydrophobicContact CB-CE2 4.12Å; V366-F396 HydrophobicContact CB-CZ 4.11Å; V366-F396 HydrophobicContact CG1-CE2 4.34Å; V366-F396 HydrophobicContact CG2-CE2 3.97Å; V366-F396 HydrophobicContact CG2-CZ 3.89Å; H369-F396 HydrophobicContact CB-CE1 4.09Å; H369-F396 HydrophobicContact CB-CE2 4.12Å; H369-F396 HydrophobicContact CB-CZ 3.67Å; H369-F396 AromaticContact CD2-CE2 3.85Å; H369-F396 AromaticContact CE1-CD2 3.4Å; H369-F396 VanDerWaalsContact CE1-CD2 3.4Å; H369-F396 WeakPolarHBondContact CE1-CD2 3.06Å; H369-F396 AromaticContact CE1-CE2 3.69Å; H369-F396 AromaticContact CE1-CG 3.89Å; H369-F396 AromaticContact CG-CE2 3.57Å; H369-F396 AromaticContact CG-CZ 3.64Å; H369-F396 AromaticContact ND1-CD1 3.9Å; H369-F396 AromaticContact ND1-CD2 3.44Å; H369-F396 WeakPolarHBondContact ND1-CD2 3.37Å; H369-F396 AromaticContact ND1-CE1 3.93Å; H369-F396 AromaticContact ND1-CE2 3.46Å; H369-F396 WeakPolarHBondContact ND1-CE2 3.11Å; H369-F396 AromaticContact ND1-CG 3.67Å; H369-F396 AromaticContact ND1-CZ 3.71Å; H369-F396 AromaticContact NE2-CD2 3.97Å; H369-F396 AromaticContact NE2-CE2 3.93Å; L394-F396 HydrophobicContact CB-CE1 4.28Å; L394-F396 HydrophobicContact CB-CE2 4.32Å; L394-F396 HydrophobicContact CB-CZ 4.17Å; L394-F396 HydrophobicContact CD1-CE2 3.94Å; L394-F396 HydrophobicContact CD1-CZ 3.77Å; L394-F396 HydrophobicContact CG-CZ 4.43Å; L394-F396 PolarHBondContact O-N 2.77Å
397	Q	74.1	Confident	73.5	Confident	124 Å²	124	79.8 Å²	79.8	58%	0.579	43%	0.431	S	S	*	.			trans	-77.4	124.7	169.6	-172.3	175.6	1.2	0	0	109	Q399	Q397-Q399 PolarHBondContact O-N 3.45Å
398	G	62.1	Low	71.6	Confident	3 Å²	3	82.2 Å²	82.2	3%	0.031	45%	0.446	C	S	.	.			trans	-70.2	121	166.3	0	0	0	0	0	108.3	L400	G398-L400 PolarHBondContact O-N 3.37Å
399	Q	57	Low	70.3	Confident	134 Å²	134	81.5 Å²	81.5	63%	0.626	45%	0.447	S	S	*	.			trans	-68.3	99	166.2	-85	-176.5	-24	0	0	107.9	Q397 D401 S402	Q397-Q399 PolarHBondContact O-N 3.45Å; Q399-D401 PolarHBondContact O-N 2.82Å; Q399-S402 WeakPolarHBondContact CB-OG 3.44Å; Q399-S402 PolarHBondContact O-N 3.13Å; Q399-S402 PolarHBondContact O-OG 3.32Å; Q399-S402 VanDerWaalsContact O-OG 3.1Å
400	L	53.4	Low	70	Confident	105 Å²	105	75.4 Å²	75.4	55%	0.55	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-57	-30.9	177.4	-125.8	86.4	0	0	0	111.7	L327 G398 S402 I403	L327-L400 HydrophobicContact CD2-CD1 4.18Å; G398-L400 PolarHBondContact O-N 3.37Å; L400-S402 PolarHBondContact O-N 3.1Å; L400-I403 PolarHBondContact O-N 3.49Å
401	D	51.2	Low	69.8	Low	170 Å²	170	75.4 Å²	75.4	91%	0.909	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-68	-16.7	-178	-61.9	-28.9	0	0	0	113.9	Q399	Q399-D401 PolarHBondContact O-N 2.82Å
402	S	50.5	Low	69.6	Low	69 Å²	69	74 Å²	74	48%	0.483	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-111.2	-3.8	-178.2	63.1	0	0	0	0	114.4	Q399 L400 P404	Q399-S402 WeakPolarHBondContact CB-OG 3.44Å; Q399-S402 PolarHBondContact O-N 3.13Å; Q399-S402 PolarHBondContact O-OG 3.32Å; Q399-S402 VanDerWaalsContact O-OG 3.1Å; L400-S402 PolarHBondContact O-N 3.1Å; S402-P404 WeakPolarHBondContact O-CD 3.3Å
403	I	53.6	Low	69.5	Low	15 Å²	15	77.3 Å²	77.3	8%	0.077	44%	0.439	C	S	.	.	S	Bend	trans	-91.8	99.4	171.4	-56.1	177.5	0	0	0	107.5	N329 V366 L400 V405	N329-I403 HydrophobicContact CB-CG2 3.9Å; V366-I403 HydrophobicContact CG1-CD1 4.18Å; L400-I403 PolarHBondContact O-N 3.49Å; I403-V405 PolarHBondContact O-N 3.11Å
404	P	50.2	Low	69.6	Low	69 Å²	69	72.7 Å²	72.7	45%	0.448	42%	0.416	S	S	.	.			trans	-54.9	120.6	178.4	17.4	-28.9	0	0	0	110.4	N329 S402 S406	N329-P404 PolarHBondContact ND2-O 3.12Å; S402-P404 WeakPolarHBondContact O-CD 3.3Å; P404-S406 WeakPolarHBondContact CB-OG 3.46Å; P404-S406 PolarHBondContact O-N 2.6Å
405	V	47.8	Very low	69.7	Low	145 Å²	145	74.5 Å²	74.5	88%	0.879	43%	0.425	S	S	*	.	S	Bend	trans	-64.5	-15.7	170.4	-176.1	0	0	0	0	110.6	I403 N407	I403-V405 PolarHBondContact O-N 3.11Å; V405-N407 PolarHBondContact O-N 2.7Å
406	S	44.7	Very low	70	Confident	88 Å²	88	71.3 Å²	71.3	62%	0.615	40%	0.402	S	S	*	.	S	Bend	trans	-66.7	96.4	170.8	62.7	0	0	0	0	109.4	P404 P408	P404-S406 WeakPolarHBondContact CB-OG 3.46Å; P404-S406 PolarHBondContact O-N 2.6Å; S406-P408 WeakPolarHBondContact O-CD 3.06Å
407	N	54.1	Low	70.4	Confident	113 Å²	113	74 Å²	74	60%	0.604	42%	0.416	S	S	*	.			trans	-37.4	92	172.5	-165.4	5.4	0	0	0	111.4	V405 S409	V405-N407 PolarHBondContact O-N 2.7Å; N407-S409 PolarHBondContact O-N 3.19Å
408	P	55	Low	70.7	Confident	59 Å²	59	74.9 Å²	74.9	38%	0.383	43%	0.425	S	S	.	.			trans	-87.1	60.7	-174.8	33.2	-23.3	0	0	0	106.8	N329 S406 C410	N329-P408 WeakPolarHBondContact ND2-CD 3.34Å; N329-P408 WeakPolarHBondContact OD1-CD 3.03Å; S406-P408 WeakPolarHBondContact O-CD 3.06Å; P408-C410 PolarHBondContact O-N 2.96Å
409	S	70.5	Confident	71.5	Confident	47 Å²	47	76.4 Å²	76.4	33%	0.329	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-52.2	130.6	164.4	50.6	0	0	0	0	106.8	N407	N407-S409 PolarHBondContact O-N 3.19Å
410	C	90.3	Very high	71.9	Confident	24 Å²	24	74.3 Å²	74.3	16%	0.162	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-50.1	150.1	-178.7	-55.2	0	0	0	0	110.8	C341 P408 M412 L415	C341-C410 WeakPolarHBondContact CA-SG 3.5Å; C341-C410 HydrophobicContact CB-CB 3.76Å; C341-C410 WeakPolarHBondContact CB-SG 3.23Å; C341-C410 WeakPolarHBondContact SG-CB 3.31Å; C341-C410 PolarHBondContact SG-N 3.48Å; C341-C410 CovalentContact SG-SG 2.04Å; C341-C410 PolarHBondContact SG-SG 3.49Å; P408-C410 PolarHBondContact O-N 2.96Å; C410-M412 PolarHBondContact O-N 3.11Å; C410-L415 HydrophobicContact CB-CD1 3.91Å
411	P	93.8	Very high	72	Confident	78 Å²	78	72.3 Å²	72.3	51%	0.506	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-54.4	137.9	176.8	24.4	-33.7	0	0	0	109.7	W272 I413 L415	W272-P411 PolarHBondContact NE1-O 3.34Å; P411-I413 HydrophobicContact CB-CD1 3.95Å; P411-I413 HydrophobicContact CB-CG1 3.88Å; P411-I413 HydrophobicContact CB-CG2 4.32Å; P411-I413 HydrophobicContact CG-CD1 3.78Å; P411-I413 HydrophobicContact CG-CG1 3.89Å; P411-I413 PolarHBondContact O-N 2.04Å; P411-L415 HydrophobicContact CG-CD2 4.22Å
412	M	95.3	Very high	71.7	Confident	63 Å²	63	72 Å²	72	31%	0.31	42%	0.421	S	S	.	.	S	Bend	trans	-79.5	59.4	177.5	-69.4	175.7	-176.9	0	0	110.2	P157 M175 Y268 W272 C410	P157-M412 HydrophobicContact CB-CB 3.89Å; P157-M412 HydrophobicContact CB-CG 4.46Å; P157-M412 HydrophobicContact CG-CB 3.94Å; P157-M412 HydrophobicContact CG-CG 4.27Å; P157-M412 HydrophobicContact CG-SD 3.98Å; M175-M412 HydrophobicContact CE-CE 4.04Å; M175-M412 HydrophobicContact CE-SD 3.46Å; M175-M412 WeakPolarHBondContact CE-SD 3.23Å; Y268-M412 HydrophobicContact CE2-CE 3.95Å; Y268-M412 HydrophobicContact CE2-SD 4.14Å; Y268-M412 WeakPolarHBondContact OH-CE 3.36Å; W272-M412 HydrophobicContact CD2-CG 4.31Å; W272-M412 HydrophobicContact CG-CG 4.23Å; C410-M412 PolarHBondContact O-N 3.11Å
413	I	95.3	Very high	70.9	Confident	74 Å²	74	73.6 Å²	73.6	38%	0.379	43%	0.432	S	S	.	.	S	Bend	trans	-123	168.8	178.3	65.3	179.5	0	0	0	108.8	P411 L415	P411-I413 HydrophobicContact CB-CD1 3.95Å; P411-I413 HydrophobicContact CB-CG1 3.88Å; P411-I413 HydrophobicContact CB-CG2 4.32Å; P411-I413 HydrophobicContact CG-CD1 3.78Å; P411-I413 HydrophobicContact CG-CG1 3.89Å; P411-I413 PolarHBondContact O-N 2.04Å; I413-L415 HydrophobicContact CG1-CD2 3.93Å; I413-L415 WeakPolarHBondContact O-CG 3.21Å; I413-L415 PolarHBondContact O-N 2.87Å
414	P	97.2	Very high	70.1	Confident	13 Å²	13	78.4 Å²	78.4	8%	0.084	46%	0.464	C	S	.	.			trans	-67.1	86.3	-179.7	-26.1	39.6	0	0	0	113.9	A159 E161 Y162 Y416 M417	A159-P414 CarbonylContact O-C 3.28Å; A159-P414 VanDerWaalsContact O-CA 3.27Å; A159-P414 WeakPolarHBondContact O-CA 2.96Å; E161-P414 WeakPolarHBondContact O-CG 3.43Å; Y162-P414 HydrophobicContact CD1-CG 3.99Å; Y162-P414 HydrophobicContact CD2-CG 3.91Å; Y162-P414 HydrophobicContact CE1-CG 4.27Å; Y162-P414 HydrophobicContact CE2-CG 4.19Å; Y162-P414 HydrophobicContact CG-CG 3.8Å; Y162-P414 VanDerWaalsContact N-CG 3.3Å; P414-Y416 PolarHBondContact O-N 2.84Å; P414-M417 HydrophobicContact CB-CB 3.68Å; P414-M417 HydrophobicContact CB-CG 4.46Å; P414-M417 HydrophobicContact CB-SD 4.21Å; P414-M417 WeakPolarHBondContact O-CB 3.45Å; P414-M417 PolarHBondContact O-N 2.03Å
415	L	95.8	Very high	69.2	Low	40 Å²	40	79.3 Å²	79.3	21%	0.209	48%	0.477	C	S	.	.	S	Bend	trans	-68.4	-31.5	-175.7	-56.5	177.5	0	0	0	113.5	A159 I271 I340 C341 C410 P411 I413	A159-L415 PolarHBondContact O-N 3.46Å; I271-L415 HydrophobicContact CG2-CD1 4.29Å; I340-L415 HydrophobicContact CD1-CB 4.4Å; I340-L415 HydrophobicContact CG1-CB 3.46Å; I340-L415 VanDerWaalsContact CG1-CB 3.46Å; I340-L415 HydrophobicContact CG1-CD1 4.31Å; I340-L415 HydrophobicContact CG2-CB 4.34Å; I340-L415 HydrophobicContact CG2-CD1 4.13Å; C341-L415 HydrophobicContact CB-CD1 4.25Å; C410-L415 HydrophobicContact CB-CD1 3.91Å; P411-L415 HydrophobicContact CG-CD2 4.22Å; I413-L415 HydrophobicContact CG1-CD2 3.93Å; I413-L415 WeakPolarHBondContact O-CG 3.21Å; I413-L415 PolarHBondContact O-N 2.87Å
416	Y	95.5	Very high	68.5	Low	22 Å²	22	78.6 Å²	78.6	9%	0.086	47%	0.473	C	S	.	.	S	Bend	trans	-83.7	-15.2	177.4	-79.9	-69.9	0	0	0	113.9	A159 F160 F200 T207 I271 I340 P414 N418 S419	A159-Y416 HydrophobicContact CB-CD2 4.02Å; A159-Y416 WeakPolarHBondContact O-CB 3.2Å; A159-Y416 PolarHBondContact O-N 3Å; F160-Y416 HydrophobicContact CD1-CD2 4.07Å; F160-Y416 HydrophobicContact CD1-CG 4.06Å; F160-Y416 AromaticContact CE1-CD2 3.57Å; F160-Y416 HydrophobicContact CE1-CD2 3.57Å; F160-Y416 HydrophobicContact CE1-CE2 4.23Å; F160-Y416 AromaticContact CE1-CG 3.81Å; F160-Y416 HydrophobicContact CE1-CG 3.81Å; F160-Y416 AromaticContact CZ-CD2 3.96Å; F160-Y416 HydrophobicContact CZ-CD2 3.96Å; F160-Y416 HydrophobicContact CZ-CE2 4.34Å; F200-Y416 HydrophobicContact CE2-CE2 4.34Å; F200-Y416 AromaticContact CZ-CE2 3.88Å; F200-Y416 HydrophobicContact CZ-CE2 3.88Å; T207-Y416 HydrophobicContact CG2-CD1 4.33Å; T207-Y416 HydrophobicContact CG2-CE1 4.27Å; I271-Y416 HydrophobicContact CD1-CD2 4.41Å; I271-Y416 HydrophobicContact CD1-CE2 3.69Å; I340-Y416 HydrophobicContact CB-CD2 4.35Å; I340-Y416 HydrophobicContact CB-CE1 4.06Å; I340-Y416 HydrophobicContact CB-CE2 3.75Å; I340-Y416 HydrophobicContact CD1-CD1 4.18Å; I340-Y416 HydrophobicContact CD1-CE1 4.11Å; I340-Y416 HydrophobicContact CG1-CD1 4.33Å; I340-Y416 HydrophobicContact CG1-CD2 4.31Å; I340-Y416 HydrophobicContact CG1-CE1 4.21Å; I340-Y416 HydrophobicContact CG1-CE2 4.19Å; I340-Y416 HydrophobicContact CG1-CG 4.37Å; I340-Y416 HydrophobicContact CG2-CD2 4.08Å; I340-Y416 HydrophobicContact CG2-CE2 3.47Å; I340-Y416 VanDerWaalsContact CG2-CE2 3.47Å; P414-Y416 PolarHBondContact O-N 2.84Å; Y416-N418 PolarHBondContact O-N 3.16Å; Y416-N418 VanDerWaalsContact O-N 3.12Å; Y416-S419 WeakPolarHBondContact O-CB 3.41Å; Y416-S419 PolarHBondContact O-N 3.27Å
417	M	90.6	Very high	67.9	Low	99 Å²	99	82.9 Å²	82.9	49%	0.488	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.5	-172.5	-173	180	-178.5	0	0	113.4	F160 Y162 P414	F160-M417 WeakPolarHBondContact O-CB 3.46Å; Y162-M417 HydrophobicContact CD2-SD 4.34Å; Y162-M417 HydrophobicContact CE2-SD 4.19Å; P414-M417 HydrophobicContact CB-CB 3.68Å; P414-M417 HydrophobicContact CB-CG 4.46Å; P414-M417 HydrophobicContact CB-SD 4.21Å; P414-M417 WeakPolarHBondContact O-CB 3.45Å; P414-M417 PolarHBondContact O-N 2.03Å
418	N	81.6	Confident	66.7	Low	143 Å²	143	83.2 Å²	83.2	77%	0.765	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	16.1	179.9	-63.5	-40.5	0	0	0	113.1	Y416	Y416-N418 PolarHBondContact O-N 3.16Å; Y416-N418 VanDerWaalsContact O-N 3.12Å
419	S	78.8	Confident	65.7	Low	35 Å²	35	85.6 Å²	85.6	25%	0.245	51%	0.507	C	S	.	.			trans	-66.5	124.8	177.4	-74.8	0	0	0	0	109.6	Y416 S421	Y416-S419 WeakPolarHBondContact O-CB 3.41Å; Y416-S419 PolarHBondContact O-N 3.27Å; S419-S421 PolarHBondContact O-N 3.06Å
420	P	65.9	Low	64	Low	90 Å²	90	90.9 Å²	90.9	58%	0.584	53%	0.531	S	S	*	.			trans	-59.5	137.7	178.3	23.6	-31.2	0	0	0	109.1	H422	P420-H422 PolarHBondContact O-N 3.25Å
421	S	54	Low	61.3	Low	63 Å²	63	98.8 Å²	98.8	44%	0.441	56%	0.563	S	S	.	*			trans	-64	102.7	169.7	45	0	0	0	0	107.9	S419 S423	S419-S421 PolarHBondContact O-N 3.06Å; S421-S423 VanDerWaalsContact C-N 3.3Å; S421-S423 PolarHBondContact O-N 2.8Å
422	H	46.2	Very low	58.6	Low	164 Å²	164	102.8 Å²	102.8	76%	0.759	58%	0.579	S	S	*	*			trans	-68.5	100.2	162.9	-72.2	-55.3	0	0	0	106.2	P420	P420-H422 PolarHBondContact O-N 3.25Å
423	S	33.8	Very low	55.7	Low	102 Å²	102	109.2 Å²	109.2	71%	0.713	61%	0.606	S	S	*	*			trans	-42.9	130.9	159.9	-75.9	0	0	0	0	107.1	S421 A425	S421-S423 VanDerWaalsContact C-N 3.3Å; S421-S423 PolarHBondContact O-N 2.8Å; S423-A425 VanDerWaalsContact C-N 3.31Å; S423-A425 PolarHBondContact O-N 2.63Å
424	P	36.7	Very low	52.7	Low	116 Å²	116	112.8 Å²	112.8	75%	0.753	63%	0.625	S	S	*	*			trans	-59.7	105.2	174.6	24.5	-30	0	0	0	105.8	T426	P424-T426 PolarHBondContact O-N 2.81Å
425	A	30.6	Very low	49.7	Very low	87 Å²	87	117.8 Å²	117.8	72%	0.719	66%	0.655	S	S	*	*			trans	-55.2	107.5	155.8	0	0	0	0	0	103.3	S423 K427	S423-A425 VanDerWaalsContact C-N 3.31Å; S423-A425 PolarHBondContact O-N 2.63Å; A425-K427 PolarHBondContact O-N 2.72Å
426	T	32.3	Very low	47	Very low	130 Å²	130	121.7 Å²	121.7	80%	0.798	68%	0.68	S	S	*	*			trans	-50.5	93.9	167.3	30.1	0	0	0	0	106.2	P424 P428	P424-T426 PolarHBondContact O-N 2.81Å; T426-P428 WeakPolarHBondContact O-CD 2.9Å
427	K	32.4	Very low	44.2	Very low	178 Å²	178	127.8 Å²	127.8	77%	0.774	71%	0.714	S	S	*	*			trans	-59.9	124.5	164.6	-78.7	-175.6	177.7	178	0	104.6	A425 S429	A425-K427 PolarHBondContact O-N 2.72Å; K427-S429 PolarHBondContact O-N 3.24Å
428	P	29.8	Very low	41.6	Very low	120 Å²	120	129.8 Å²	129.8	78%	0.779	73%	0.726	S	S	*	*			trans	-74.9	69.6	174.8	31.4	-32.1	0	0	0	108.3	T426 L430	T426-P428 WeakPolarHBondContact O-CD 2.9Å; P428-L430 PolarHBondContact O-N 3.42Å
429	S	34.3	Very low	39.7	Very low	109 Å²	109	131.1 Å²	131.1	76%	0.762	73%	0.727	S	S	*	*			trans	-87.7	61.7	163.7	53.7	0	0	0	0	108.3	K427	K427-S429 PolarHBondContact O-N 3.24Å
430	L	34.2	Very low	38.1	Very low	159 Å²	159	136.1 Å²	136.1	83%	0.832	75%	0.75	S	S	*	*			trans	-149.5	50.3	173.4	-125.6	136	0	0	0	109	P428	P428-L430 PolarHBondContact O-N 3.42Å
431	F	34.1	Very low	36.9	Very low	189 Å²	189	140.1 Å²	140.1	83%	0.829	76%	0.758	S	S	*	*	S	Bend	trans	-149	60.6	170.6	-110	-76.5	0	0	0	110.4
432	L	36.8	Very low	36.5	Very low	163 Å²	163	146.6 Å²	146.6	85%	0.853	78%	0.779	S	S	*	*	S	Bend	trans	-160.2	15.5	159	-110.4	138.2	0	0	0	115.2
433	F	34.1	Very low	36.3	Very low	197 Å²	197	152.4 Å²	152.4	86%	0.864	80%	0.802	S	S	*	*	S	Bend	trans	-119.4	19.9	175.7	-108.4	-80.1	0	0	0	114.6
434	L	31.9	Very low	36.4	Very low	150 Å²	150	154.9 Å²	154.9	79%	0.785	81%	0.806	S	S	*	*	S	Bend	trans	-132.9	22.8	-179.8	-126.5	105.1	0	0	0	115.7
435	V	35.1	Very low	36.4	Very low	117 Å²	117	156.9 Å²	156.9	71%	0.709	81%	0.809	S	S	*	*	S	Bend	trans	-117.6	-7.8	175.2	-172.9	0	0	0	0	113.6
436	T	37.8	Very low	36.7	Very low	122 Å²	122	160.8 Å²	160.8	75%	0.748	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	12.9	177.6	23.5	0	0	0	0	115.3
437	L	36.3	Very low	36.9	Very low	151 Å²	151	162.6 Å²	162.6	79%	0.791	82%	0.815	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.1	6.1	177.1	-111.4	137.1	0	0	0	114.7
438	L	37.1	Very low	37.2	Very low	140 Å²	140	161.7 Å²	161.7	73%	0.733	82%	0.817	S	S	*	*	S	Bend	trans	-113.8	12.5	-179	-105	148.2	0	0	0	114.7
439	H	40.6	Very low	37.7	Very low	172 Å²	172	164.5 Å²	164.5	80%	0.796	82%	0.82	S	S	*	*	S	Bend	trans	-112.1	13.8	175	-90.5	64.1	0	0	0	114.5
440	I	46.6	Very low	38	Very low	140 Å²	140	168.4 Å²	168.4	72%	0.718	82%	0.824	S	S	*	*	S	Bend	trans	-110.5	-0.9	177.5	-63.2	177.7	0	0	0	112.8
441	F	41.2	Very low	38.3	Very low	173 Å²	173	169.2 Å²	169.2	76%	0.759	82%	0.823	S	S	*	*	S	Bend	trans	-119.6	9.3	-179.1	-80.7	-73.5	0	0	0	116.7
442	F	43.8	Very low	38.6	Very low	199 Å²	199	167.5 Å²	167.5	87%	0.873	82%	0.823	S	S	*	*			trans	-143.4	79.5	167.1	-78.6	-77.6	0	0	0	112.1
443	K	42.1	Very low	38.8	Very low	286 Å²	286	167.9 Å²	167.9	100%	1.243	82%	0.82	S	S	*	*			trans	-165	0	132.4	-112.4	-177.3	-178.6	-178.2	0	110.9

Retrieved 443 of 443 residues in 103.4 ms (Link to these results)

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